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2-Hydroxy-5-nitrophenylacetic acid

CAT: 0926-FH67645-01Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0926-FH67645-01Size:1000 mg
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CAS Number
51794-07-1
MDL Number
MFCD04117976
Smiles
C1=CC (=C (C=C1[N+] (=O) [O-]) CC (=O) O) O
Molecular Formula
C8H7NO5
Molecular Weight
197.14 g/mol
Controlled
No

Chemical Information

2-Hydroxy-5-nitrobenzeneacetic acid
CAS Number51794-07-1
PubChem CID10442682
IUPAC Name2-(2-hydroxy-5-nitrophenyl)acetic acid
Molecular FormulaC8H7NO5
Molecular Weight197.14
XLogP0.9
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity236
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])CC(=O)O)O
InChI
InChI=1S/C8H7NO5/c10-7-2-1-6(9(13)14)3-5(7)4-8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKey
ORXCFNAIXBBSJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-5-nitrobenzeneacetic acid
CAS: 51794-07-1
CID: 10442682
Formula: C8H7NO5
MW: 197.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.14
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass197.03242232
Monoisotopic Mass197.03242232
Topological Polar Surface Area103 Ų
Heavy Atom Count14
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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