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102308-62-3 | Benzenepropanoic acid, β-amino-4-nitro-
CAS No: 102308-62-3 Catalog No: AG000765 MDL No:MFCD00187210
Product Description
Catalog Number:
AG000765
Chemical Name:
Benzenepropanoic acid, β-amino-4-nitro-
CAS Number:
102308-62-3
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
MDL Number:
MFCD00187210
IUPAC Name:
3-amino-3-(4-nitrophenyl)propanoic acid
InChI:
InChI=1S/C9H10N2O4/c10-8(5-9(12)13)6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)
InChI Key:
JVQPVKJZKRICRR-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(cc1)[N+](=O)[O-])N
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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