Chemical ID: 3967986

c1cc(ccc1CC(=O)O)[N+](=O)[O-]
Chemical ID:
3967986
Name [?]:
2-(4-nitrophenyl)acetic acid
SMILES [?]:
c1cc(ccc1CC(=O)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,6,3,8,11,9,10,12,13/E:(1,2)(3,4)(10,11)(12,13)/CRV:9.5/rA:13nCCCCCCCCOON+OO-/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s3;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7NO4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:1.16801
Area:345.514
Solvation:-7.46984
Coulombic:-37.824
Bond Count [?]
All:13
Single:8
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:181.146
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.22
LogP (Chemaxon):1.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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