Chemical ID: 7177220

CC=CC(=O)Nc1ccccc1C(=O)OC
Chemical ID:
7177220
Name [?]:
methyl 2-but-2-enoylaminobenzoate
SMILES [?]:
CC=CC(=O)Nc1ccccc1C(=O)OC
InChi [?]:
InChI=1/C12H13NO3/c1-3-6-11(14)13-10-8-5-4-7-9(10)12(15)16-2/h3-8H,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,16,2,10,9,3,11,8,12,7,4,13,6,5,14,15/rA:16nCCCCONCCCCCCCOOC/rB:s1;w2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13NO3
All Atoms:29
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.09802
Area:412.424
Solvation:-2.21259
Coulombic:-42.2217
Bond Count [?]
All:16
Single:10
Double:6
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:219.237
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.46
LogP (Chemaxon):2.67

Name Annotations

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Descriptor Annotations

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