Chemical ID: 4718795

CC(c1ccc(cc1)[N+](=O)[O-])(C(=O)OC)C(=O)OC
Chemical ID:
4718795
Name [?]:
dimethyl 2-methyl-2-(4-nitrophenyl)-propanedioate
SMILES [?]:
CC(c1ccc(cc1)[N+](=O)[O-])(C(=O)OC)C(=O)OC
InChi [?]:
InChI=1/C12H13NO6/c1-12(10(14)18-2,11(15)19-3)8-4-6-9(7-5-8)13(16)17/h4-7H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,19,4,8,5,7,3,6,12,16,2,9,13,17,10,11,14,18/E:(2,3)(4,5)(6,7)(10,11)(14,15)(16,17)(18,19)/CRV:13.5/rA:19nCCCCCCCCN+OO-COOCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s2;d12;s12;s14;s2;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13NO6
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:3.11613
Area:447.653
Solvation:-8.0752
Coulombic:-49.6306
Bond Count [?]
All:19
Single:13
Double:6
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:267.235
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.49
LogP (Chemaxon):2.15

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Descriptor Annotations

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