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Home > Nitro Compounds > 79286-77-4
79286-77-4 | (2s)-hydroxy(4-nitrophenyl)ethanoic acid
CAS No: 79286-77-4 Catalog No: AG0052U6 MDL No:
Product Description
Catalog Number:
AG0052U6
Chemical Name:
(2s)-hydroxy(4-nitrophenyl)ethanoic acid
CAS Number:
79286-77-4
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
IUPAC Name:
(2S)-2-hydroxy-2-(4-nitrophenyl)acetic acid
InChI:
InChI=1S/C8H7NO5/c10-7(8(11)12)5-1-3-6(4-2-5)9(13)14/h1-4,7,10H,(H,11,12)/t7-/m0/s1
InChI Key:
ZSMJZVLXJDNZHG-ZETCQYMHSA-N
SMILES:
OC(=O)[C@H](c1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
197.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.146g/mol
Monoisotopic Mass:
197.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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