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179923-30-9 | Butanamide, 2-hydroxy-3-methyl-N-(phenylmethyl)-, (2S)-
CAS No: 179923-30-9 Catalog No: AG0027D5 MDL No:
Product Description
Catalog Number:
AG0027D5
Chemical Name:
Butanamide, 2-hydroxy-3-methyl-N-(phenylmethyl)-, (2S)-
CAS Number:
179923-30-9
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
(2S)-N-benzyl-2-hydroxy-3-methylbutanamide
InChI:
InChI=1S/C12H17NO2/c1-9(2)11(14)12(15)13-8-10-6-4-3-5-7-10/h3-7,9,11,14H,8H2,1-2H3,(H,13,15)/t11-/m0/s1
InChI Key:
AQSYWTVVFDMHSQ-NSHDSACASA-N
SMILES:
O[C@H](C(=O)NCc1ccccc1)C(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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