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2,6-DIMETHYL(1,3-DIOXOLAN-2-YLMETHYL)BENZENE
CAS:
898785-37-0
MW:
192.25
MF:
C12H16O2
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
2,6-DIMETHYL(1,3-DIOXOLAN-2-YLMETHYL)BENZENE
1.2 Synonyms
2,5-diisooctyl-4-benzenediol; 2-[(2,6-dimethylphenyl)methyl]-1,3-dioxolane;
1.3 CAS No.
898785-37-0
1.4 CID
24727793
1.5 Molecular Formula
C12H16O2
1.6 Inchi
InChI=1S/C12H16O2/c1-9-4-3-5-10(2)11(9)8-12-13-6-7-14-12/h3-5,12H,6-8H2,1-2H3
1.7 InChkey
JEZLZORRLFONDB-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=C(C(=CC=C1)C)CC2OCCO2
1.9 Isomers Smiles
CC1=C(C(=CC=C1)C)CC2OCCO2
2. Computed Properties
Molecular Weight:
192.25g/mol
Molecular Formula:
C
12
H
16
O
2
Compound Is Canonicalized:
True
Exact Mass:
2.6
XLogP3-AA:
192.115029749
Monoisotopic Mass:
192.115029749
Complexity:
165
Rotatable Bond Count:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Topological Polar Surface Area:
18.5
Heavy Atom Count::
14
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:
AAADceBwMAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABAAAAGgAAAAAADACwmAMyCIAABACAAiBCAAACAAAgAAAIiAAAAIgZICKAERCiIAAkwAEOiAeAwOAOgAACAAAQAAAAAAQAACAAAAAAAAAAAA==
3. Toltal 1 Suppliers
View more
Rieke Metals, Inc.
Tel:
Update Time:
2019/11/25
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4. Realated Product Infomation
2,5-DIMETHYL-1-(1,3-DIOXOLAN-2-YLMETHYL)BENZENE
cas:898759-36-9
3,4-DIMETHYL-1-(1,3-DIOXOLAN-2-YLMETHYL)BENZENE
cas:898759-39-2
2,5-DICHLORO(1,3-DIOXOLAN-2-YLMETHYL)BENZENE
cas:898759-15-4
2,4,6-TRIMETHYL(1,3-DIOXOLAN-2-YLMETHYL)BENZENE
cas:898785-34-7
1-BROMO-3-(1,3-DIOXOLAN-2-YLMETHYL)BENZENE
cas:842123-87-9
1,4-DIFLUORO-2-(1,3-DIOXOLAN-2-YLMETHYL)BENZENE
cas:842123-88-0
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.
Computational chemical data
3.
Toltal 1 Suppliers
4.
Realated Product Infomation
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