Chemical ID: 6693281

c1cc(c(cc1CC(=O)O)N(=O)=O)O
Chemical ID:
6693281
Name [?]:
2-(4-hydroxy-3-nitro-phenyl)acetic acid
SMILES [?]:
c1cc(c(cc1CC(=O)O)N(=O)=O)O
InChi [?]:
InChI=1/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,7,6,4,3,8,11,14,9,10,12,13/E:(11,12)(13,14)/CRV:9.5/rA:14nCCCCCCCCOONOOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s4;d11;d11;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7NO5
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-0.357135
Area:355.133
Solvation:-9.23547
Coulombic:-52.0325
Bond Count [?]
All:14
Single:8
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:197.145
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.58
LogP (Chemaxon):1.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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