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129940-69-8 | Benzenemethanol, 3-methoxy-α-methyl-, (αS)-
CAS No: 129940-69-8 Catalog No: AG000TTE MDL No:MFCD09863669
Product Description
Catalog Number:
AG000TTE
Chemical Name:
Benzenemethanol, 3-methoxy-α-methyl-, (αS)-
CAS Number:
129940-69-8
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD09863669
IUPAC Name:
(1S)-1-(3-methoxyphenyl)ethanol
InChI:
InChI=1S/C9H12O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7,10H,1-2H3/t7-/m0/s1
InChI Key:
ZUBPFBWAXNCEOG-ZETCQYMHSA-N
SMILES:
COc1cccc(c1)[C@@H](O)C
UNII:
IK19T286L6
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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