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Home > Nitro Compounds > 77248-69-2
77248-69-2 | 2-Propenoic acid, 3-(5-hydroxy-2-nitrophenyl)-
CAS No: 77248-69-2 Catalog No: AG0054SN MDL No:
Product Description
Catalog Number:
AG0054SN
Chemical Name:
2-Propenoic acid, 3-(5-hydroxy-2-nitrophenyl)-
CAS Number:
77248-69-2
Molecular Formula:
C9H7NO5
Molecular Weight:
209.1556
IUPAC Name:
(E)-3-(5-hydroxy-2-nitrophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H7NO5/c11-7-2-3-8(10(14)15)6(5-7)1-4-9(12)13/h1-5,11H,(H,12,13)/b4-1+
InChI Key:
SPWWWLCTUNXBRR-DAFODLJHSA-N
SMILES:
OC(=O)C=Cc1cc(O)ccc1[N+](=O)[O-]
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
2.1
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