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Home > Nitro Compounds > 882653-55-6
882653-55-6 | 2-Propenoic acid, 2-hydroxy-3-(4-nitrophenyl)-, (2Z)-
CAS No: 882653-55-6 Catalog No: AG0049Z7 MDL No:
Product Description
Catalog Number:
AG0049Z7
Chemical Name:
2-Propenoic acid, 2-hydroxy-3-(4-nitrophenyl)-, (2Z)-
CAS Number:
882653-55-6
Molecular Formula:
C9H7NO5
Molecular Weight:
209.1556
IUPAC Name:
2-hydroxy-3-(4-nitrophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H7NO5/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-5,11H,(H,12,13)
InChI Key:
FUKCXXJPBOBGMI-UHFFFAOYSA-N
SMILES:
OC(=O)/C(=C/c1ccc(cc1)[N+](=O)[O-])/O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.157g/mol
Monoisotopic Mass:
209.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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