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139016-20-9 | 1,2-Ethanediol, 1-(4-methylphenyl)-, (1S)-
CAS No: 139016-20-9 Catalog No: AG001A0J MDL No:
Product Description
Catalog Number:
AG001A0J
Chemical Name:
1,2-Ethanediol, 1-(4-methylphenyl)-, (1S)-
CAS Number:
139016-20-9
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
1-(4-methylphenyl)ethane-1,2-diol
InChI:
InChI=1S/C9H12O2/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9-11H,6H2,1H3
InChI Key:
LRVUCXFUHLHEDF-UHFFFAOYSA-N
SMILES:
OC[C@H](c1ccc(cc1)C)O
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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