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302558-76-5 | Methyl 4-(2-oxo-2H-chromene-3-amido)benzoate
CAS No: 302558-76-5 Catalog No: AG01FARO MDL No:MFCD00594170
Product Description
Catalog Number:
AG01FARO
Chemical Name:
Methyl 4-(2-oxo-2H-chromene-3-amido)benzoate
CAS Number:
302558-76-5
Molecular Formula:
C18H13NO5
Molecular Weight:
323.2995
MDL Number:
MFCD00594170
IUPAC Name:
methyl 4-[(2-oxochromene-3-carbonyl)amino]benzoate
InChI:
InChI=1S/C18H13NO5/c1-23-17(21)11-6-8-13(9-7-11)19-16(20)14-10-12-4-2-3-5-15(12)24-18(14)22/h2-10H,1H3,(H,19,20)
InChI Key:
QHSGHJVWAPOTSV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)NC(=O)c1cc2ccccc2oc1=O
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.079g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.304g/mol
Monoisotopic Mass:
323.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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