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29513-50-6 | Alanine, 2-methyl-N-(1-oxo-2-propen-1-yl)-
CAS No: 29513-50-6 Catalog No: AG002YMR MDL No:MFCD00040208
Product Description
Catalog Number:
AG002YMR
Chemical Name:
Alanine, 2-methyl-N-(1-oxo-2-propen-1-yl)-
CAS Number:
29513-50-6
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
MDL Number:
MFCD00040208
IUPAC Name:
2-methyl-2-(prop-2-enoylamino)propanoic acid
InChI:
InChI=1S/C7H11NO3/c1-4-5(9)8-7(2,3)6(10)11/h4H,1H2,2-3H3,(H,8,9)(H,10,11)
InChI Key:
FPBFWDHYZMVTJD-UHFFFAOYSA-N
SMILES:
C=CC(=O)NC(C(=O)O)(C)C
NSC Number:
288647
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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