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132203-87-3 | Benzeneacetic acid, α-amino-4-hydroxy-3-nitro-
CAS No: 132203-87-3 Catalog No: AG0010DO MDL No:
Product Description
Catalog Number:
AG0010DO
Chemical Name:
Benzeneacetic acid, α-amino-4-hydroxy-3-nitro-
CAS Number:
132203-87-3
Molecular Formula:
C8H8N2O5
Molecular Weight:
212.1595
IUPAC Name:
2-amino-2-(4-hydroxy-3-nitrophenyl)acetic acid
InChI:
InChI=1S/C8H8N2O5/c9-7(8(12)13)4-1-2-6(11)5(3-4)10(14)15/h1-3,7,11H,9H2,(H,12,13)
InChI Key:
WPJSXUYBLQGKHR-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(c(c1)[N+](=O)[O-])O)N
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.161g/mol
Monoisotopic Mass:
212.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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