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Home > Nitro Compounds > 38584-59-7
38584-59-7 | b-Alanine, N-(2-nitrophenyl)-, methyl ester
CAS No: 38584-59-7 Catalog No: AG00I7NX MDL No:MFCD12783543
Product Description
Catalog Number:
AG00I7NX
Chemical Name:
b-Alanine, N-(2-nitrophenyl)-, methyl ester
CAS Number:
38584-59-7
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
MDL Number:
MFCD12783543
IUPAC Name:
methyl 3-(2-nitroanilino)propanoate
InChI:
InChI=1S/C10H12N2O4/c1-16-10(13)6-7-11-8-4-2-3-5-9(8)12(14)15/h2-5,11H,6-7H2,1H3
InChI Key:
NWUWUSMSFPYYES-UHFFFAOYSA-N
SMILES:
COC(=O)CCNc1ccccc1[N+](=O)[O-]
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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