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88133-81-7 | L-Alanine, N-methylene-
CAS No: 88133-81-7 Catalog No: AG004FCF MDL No:
Product Description
Catalog Number:
AG004FCF
Chemical Name:
L-Alanine, N-methylene-
CAS Number:
88133-81-7
Molecular Formula:
C4H7NO2
Molecular Weight:
101.1039
IUPAC Name:
(2S)-2-(methylideneamino)propanoic acid
InChI:
InChI=1S/C4H7NO2/c1-3(5-2)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChI Key:
XQJJOBBYFWSBOI-VKHMYHEASA-N
SMILES:
C[C@@H](C(=O)O)N=C
Properties
Complexity:
89.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
101.048g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
101.105g/mol
Monoisotopic Mass:
101.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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