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Chemical ID: 6677579
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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