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Pharmaceutical Intermediates
2-(hydroxyMethyl)-6-Methoxy-4-Methylphenol
CAS:
7452-08-6
MW:
168.18978
MF:
C9H12O3
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
2-(hydroxyMethyl)-6-Methoxy-4-Methylphenol
1.2 Synonyms
2-(hydroxyMethyl)-6-Methoxy-4-Methylphenol; 2-Hydroxy-3-methoxy-5-methylbenzylalkohol; 2-Hydroxy-3-methoxy-5-methyl-benzylalkohol; 6-Hydroxymethyl-4-methylguaiacol; 6-Hydroxymethyl-4-methylguajacol; 6-Hydroxymethyl-kreosol; Benzenemethanol, 2-hydroxy-3-methoxy-5-methyl-; Benzenemethanol,2-hydroxy-3-methoxy-5-methyl; benzenemethanol,2-hydroxy-3-methoxy-5-methyl-; MFCD24713827;
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1.3 CAS No.
7452-08-6
1.4 CID
12036457
1.5 Molecular Formula
C9H12O3
1.6 Inchi
InChI=1S/C9H12O3/c1-6-3-7(5-10)9(11)8(4-6)12-2/h3-4,10-11H,5H2,1-2H3
1.7 InChkey
BOZGGOONTTZMOI-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=CC(=C(C(=C1)OC)O)CO
1.9 Isomers Smiles
CC1=CC(=C(C(=C1)OC)O)CO
2. Synthesis Route
7452-08-6
Total: 2 Synthesis Route
50-00-0
58 Suppliers
93-51-6
130 Suppliers
7452-08-6
1 Suppliers
50-00-0
58 Suppliers
4383-07-7
5 Suppliers
7452-08-6
1 Suppliers
3. Precursor and Product
precursor:
4383-07-7
93-51-6
50-00-0
product:
54208-60-5
2896-66-4
4. Computed Properties
Molecular Weight:
168.18978g/mol
Molecular Formula:
C
9
H
12
O
3
Compound Is Canonicalized:
True
Exact Mass:
1.6
XLogP3-AA:
168.078644241
Monoisotopic Mass:
168.078644241
Complexity:
138
Rotatable Bond Count:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Topological Polar Surface Area:
49.7
Heavy Atom Count::
12
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIyBoAABgCAAiBCAAACCAAgIAAAiAAGiIgNNyKGMRqAcCMlwBELuAfAwHAOIAADAAAIQABAAAYAABCAAAAAAAAAAA==
5. Toltal 1 Suppliers
View more
Nanjing Chemlin Chemical Co., Ltd.
Tel:
Update Time:
2024/03/04
inquire
6. Realated Product Infomation
2-(Hydroxymethyl)-3-methylphenol
cas:29922-52-9
3-(hydroxyMethyl)-4-Methylphenol
cas:1261454-85-6
3-(hydroxymethyl)-2-methylphenol
cas:54874-26-9
2-(Hydroxymethyl)-4-iodo-6-methylphenol
cas:1787916-18-0
2-Methoxy-methylphenol
cas:5635-98-3
2-Methoxy-4-methylphenol
cas:93-51-6
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Synthesis Route
3.
Precursor and Product
4.
Computational chemical data
5.
Toltal 1 Suppliers
6.
Realated Product Infomation
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