Chemical ID: 6911778

c1cc(ccc1C=CN(=O)=O)O
Chemical ID:
6911778
Name [?]:
4-(2-nitrovinyl)phenol
SMILES [?]:
c1cc(ccc1C=CN(=O)=O)O
InChi [?]:
InChI=1/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,8,6,3,9,12,10,11/E:(1,2)(3,4)(11,12)/CRV:9.5/rA:12nCCCCCCCCNOOO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;d9;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7NO3
All Atoms:19
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-0.021644
Area:337.432
Solvation:-8.45745
Coulombic:-25.5429
Bond Count [?]
All:12
Single:6
Double:6
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:165.146
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.78
LogP (Chemaxon):2.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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