Chemical ID: 4732984

COCCOc1ccc(cc1[N+](=O)[O-])C=CC(=O)O
Chemical ID:
4732984
Name [?]:
3-[4-(2-methoxyethoxy)-3-nitro-phenyl]prop-2-enoic acid
SMILES [?]:
COCCOc1ccc(cc1[N+](=O)[O-])C=CC(=O)O
InChi [?]:
InChI=1/C12H13NO6/c1-18-6-7-19-11-4-2-9(3-5-12(14)15)8-10(11)13(16)17/h2-5,8H,6-7H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,8,15,7,16,3,4,10,9,11,6,17,12,18,19,13,14,2,5/E:(14,15)(16,17)/CRV:13.5/rA:19nCOCCOCCCCCCN+OO-CCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;s12;s9;w15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13NO6
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-1.2801
Area:452.116
Solvation:-12.583
Coulombic:-50.8829
Bond Count [?]
All:19
Single:13
Double:6
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:267.235
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.4
LogP (Chemaxon):1.69

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