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175840-29-6 | 4H-1-Benzopyran-4-one, 2-(dimethylamino)-6-methoxy-
CAS No: 175840-29-6 Catalog No: AG00217W MDL No:
Product Description
Catalog Number:
AG00217W
Chemical Name:
4H-1-Benzopyran-4-one, 2-(dimethylamino)-6-methoxy-
CAS Number:
175840-29-6
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
2-(dimethylamino)-6-methoxychromen-4-one
InChI:
InChI=1S/C12H13NO3/c1-13(2)12-7-10(14)9-6-8(15-3)4-5-11(9)16-12/h4-7H,1-3H3
InChI Key:
LVIHQFNGQPBSPU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(=O)cc(o2)N(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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