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74696-95-0 | 2H-1-Benzopyran-2-one, 3-acetyl-7-(dimethylamino)-
CAS No: 74696-95-0 Catalog No: AG005UO5 MDL No:
Product Description
Catalog Number:
AG005UO5
Chemical Name:
2H-1-Benzopyran-2-one, 3-acetyl-7-(dimethylamino)-
CAS Number:
74696-95-0
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
3-acetyl-7-(dimethylamino)chromen-2-one
InChI:
InChI=1S/C13H13NO3/c1-8(15)11-6-9-4-5-10(14(2)3)7-12(9)17-13(11)16/h4-7H,1-3H3
InChI Key:
MYKMRINTJPZLQB-UHFFFAOYSA-N
SMILES:
CN(c1ccc2c(c1)oc(=O)c(c2)C(=O)C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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