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850714-52-2 | Propanamide, N-[(1S)-1-(hydroxymethyl)propyl]-2-methyl-
CAS No: 850714-52-2 Catalog No: AG004OOT MDL No:
Product Description
Catalog Number:
AG004OOT
Chemical Name:
Propanamide, N-[(1S)-1-(hydroxymethyl)propyl]-2-methyl-
CAS Number:
850714-52-2
Molecular Formula:
C8H17NO2
Molecular Weight:
159.2261
IUPAC Name:
N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropanamide
InChI:
InChI=1S/C8H17NO2/c1-4-7(5-10)9-8(11)6(2)3/h6-7,10H,4-5H2,1-3H3,(H,9,11)/t7-/m0/s1
InChI Key:
BCRZDAMCDOTLEP-ZETCQYMHSA-N
SMILES:
CC[C@H](NC(=O)C(C)C)CO
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
159.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.229g/mol
Monoisotopic Mass:
159.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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