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Chemical ID: 6911778
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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