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161121-02-4 | Benzeneethanol, 3,4-dimethoxy-α-methyl-, (αS)-
CAS No: 161121-02-4 Catalog No: AG001S6T MDL No:MFCD01075039
Product Description
Catalog Number:
AG001S6T
Chemical Name:
Benzeneethanol, 3,4-dimethoxy-α-methyl-, (αS)-
CAS Number:
161121-02-4
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
MDL Number:
MFCD01075039
IUPAC Name:
(2S)-1-(3,4-dimethoxyphenyl)propan-2-ol
InChI:
InChI=1S/C11H16O3/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8,12H,6H2,1-3H3/t8-/m0/s1
InChI Key:
KWJDGWGMDAQESJ-QMMMGPOBSA-N
SMILES:
COc1cc(ccc1OC)C[C@@H](O)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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