Chemical ID: 6677579

c1cc(cc(c1)O)C=C[N+](=O)[O-]
Chemical ID:
6677579
Name [?]:
3-(2-nitrovinyl)phenol
SMILES [?]:
c1cc(cc(c1)O)C=C[N+](=O)[O-]
InChi [?]:
InChI=1/C8H7NO3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H
InChi Info:
AuxInfo=1/0/N:1,2,6,8,9,4,3,5,10,7,11,12/E:(11,12)/CRV:9.5/rA:12nCCCCCCOCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7NO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-0.803001
Area:314.973
Solvation:-8.67733
Coulombic:-25.6641
Bond Count [?]
All:12
Single:7
Double:5
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:165.146
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.66
LogP (Chemaxon):2.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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