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19281-38-0 | 2-Propenoic acid, 2-methyl-, 4-(benzoylamino)-7-oxo-1,3,5-cycloheptatrien-1-yl ester
CAS No: 19281-38-0 Catalog No: AG002GCP MDL No:
Product Description
Catalog Number:
AG002GCP
Chemical Name:
2-Propenoic acid, 2-methyl-, 4-(benzoylamino)-7-oxo-1,3,5-cycloheptatrien-1-yl ester
CAS Number:
19281-38-0
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
IUPAC Name:
(4-benzamido-7-oxocyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate
InChI:
InChI=1S/C18H15NO4/c1-12(2)18(22)23-16-11-9-14(8-10-15(16)20)19-17(21)13-6-4-3-5-7-13/h3-11H,1H2,2H3,(H,19,21)
InChI Key:
BCOHGZMLUIZXRH-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccc(=O)c(cc1)OC(=O)C(=C)C
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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