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20133-19-1 | 1,2-Propanediol, 1-(3,4-dimethoxyphenyl)-
CAS No: 20133-19-1 Catalog No: AG002DBP MDL No:MFCD01698050
Product Description
Catalog Number:
AG002DBP
Chemical Name:
1,2-Propanediol, 1-(3,4-dimethoxyphenyl)-
CAS Number:
20133-19-1
Molecular Formula:
C11H16O4
Molecular Weight:
212.2423
MDL Number:
MFCD01698050
IUPAC Name:
1-(3,4-dimethoxyphenyl)propane-1,2-diol
InChI:
InChI=1S/C11H16O4/c1-7(12)11(13)8-4-5-9(14-2)10(6-8)15-3/h4-7,11-13H,1-3H3
InChI Key:
HGABKKBQQGFTLR-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(C(O)C)O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.245g/mol
Monoisotopic Mass:
212.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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