Chemical ID: 4118227

Cc1ccc(cc1)C=C(C)[N+](=O)[O-]
Chemical ID:
4118227
Name [?]:
1-methyl-4-(2-nitroprop-1-enyl)benzene
SMILES [?]:
Cc1ccc(cc1)C=C(C)[N+](=O)[O-]
InChi [?]:
InChI=1/C10H11NO2/c1-8-3-5-10(6-4-8)7-9(2)11(12)13/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,3,7,4,6,8,2,9,5,11,12,13/E:(3,4)(5,6)(12,13)/CRV:11.5/rA:13nCCCCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s9;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:2.47069
Area:353.615
Solvation:-6.36968
Coulombic:-12.0292
Bond Count [?]
All:13
Single:8
Double:5
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:177.2
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.05
LogP (Chemaxon):2.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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