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139087-68-6 | 2H-1-Benzopyran-2-one, 8-amino-6-ethyl-7-hydroxy-4-methyl-
CAS No: 139087-68-6 Catalog No: AG001A85 MDL No:
Product Description
Catalog Number:
AG001A85
Chemical Name:
2H-1-Benzopyran-2-one, 8-amino-6-ethyl-7-hydroxy-4-methyl-
CAS Number:
139087-68-6
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one
InChI:
InChI=1S/C12H13NO3/c1-3-7-5-8-6(2)4-9(14)16-12(8)10(13)11(7)15/h4-5,15H,3,13H2,1-2H3
InChI Key:
SAOIDNFWSGTYBT-UHFFFAOYSA-N
SMILES:
CCc1cc2c(C)cc(=O)oc2c(c1O)N
Properties
Complexity:
326
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:
2
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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