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82412-16-6 | 2H-1-Benzopyran-3-aceticacid, 4-methyl-2-oxo-7-(phenylamino)-
CAS No: 82412-16-6 Catalog No: AG004WZC MDL No:
Product Description
Catalog Number:
AG004WZC
Chemical Name:
2H-1-Benzopyran-3-aceticacid, 4-methyl-2-oxo-7-(phenylamino)-
CAS Number:
82412-16-6
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
IUPAC Name:
2-(7-anilino-4-methyl-2-oxochromen-3-yl)acetic acid
InChI:
InChI=1S/C18H15NO4/c1-11-14-8-7-13(19-12-5-3-2-4-6-12)9-16(14)23-18(22)15(11)10-17(20)21/h2-9,19H,10H2,1H3,(H,20,21)
InChI Key:
CQPFKBKIRKTCME-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)Nc1ccccc1
Properties
Complexity:
507
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:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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