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289902-88-1 | 1,3-Propanediol, 2-[(3,4-dimethylphenyl)methyl]-
CAS No: 289902-88-1 Catalog No: AG002V4G MDL No:
Product Description
Catalog Number:
AG002V4G
Chemical Name:
1,3-Propanediol, 2-[(3,4-dimethylphenyl)methyl]-
CAS Number:
289902-88-1
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
2-[(3,4-dimethylphenyl)methyl]propane-1,3-diol
InChI:
InChI=1S/C12H18O2/c1-9-3-4-11(5-10(9)2)6-12(7-13)8-14/h3-5,12-14H,6-8H2,1-2H3
InChI Key:
ZLYNNDYPVKXKLE-UHFFFAOYSA-N
SMILES:
OCC(Cc1ccc(c(c1)C)C)CO
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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