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Chemical ID: 6693281
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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