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88973-13-1

88973-13-1 | 4H-1-Benzopyran-4-one, 8-amino-7-hydroxy-2,3-dimethyl-

CAS No: 88973-13-1 Catalog No: AG0046V0 MDL No:

Product Description

Catalog Number:
AG0046V0
Chemical Name:
4H-1-Benzopyran-4-one, 8-amino-7-hydroxy-2,3-dimethyl-
CAS Number:
88973-13-1
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
8-amino-7-hydroxy-2,3-dimethylchromen-4-one
InChI:
InChI=1S/C11H11NO3/c1-5-6(2)15-11-7(10(5)14)3-4-8(13)9(11)12/h3-4,13H,12H2,1-2H3
InChI Key:
HJWLBEFMDNFHBQ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1N)oc(c(c2=O)C)C

Properties

Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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