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81788-52-5 | 2H-1-Benzopyran-2-one, 8-(1-hydrazonoethyl)-7-hydroxy-4-methyl-
CAS No: 81788-52-5 Catalog No: AG0056TI MDL No:
Product Description
Catalog Number:
AG0056TI
Chemical Name:
2H-1-Benzopyran-2-one, 8-(1-hydrazonoethyl)-7-hydroxy-4-methyl-
CAS Number:
81788-52-5
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
IUPAC Name:
8-ethanehydrazonoyl-7-hydroxy-4-methylchromen-2-one
InChI:
InChI=1S/C12H12N2O3/c1-6-5-10(16)17-12-8(6)3-4-9(15)11(12)7(2)14-13/h3-5,15H,13H2,1-2H3
InChI Key:
DDMCDLLSDUVAIU-UHFFFAOYSA-N
SMILES:
NN=C(c1c(O)ccc2c1oc(=O)cc2C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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