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71354-54-6 | 4H-1-Benzopyran-4-one, 3-acetyl-6-chloro-2-methyl-
CAS No: 71354-54-6 Catalog No: AG005IZF MDL No:
Product Description
Catalog Number:
AG005IZF
Chemical Name:
4H-1-Benzopyran-4-one, 3-acetyl-6-chloro-2-methyl-
CAS Number:
71354-54-6
Molecular Formula:
C12H9ClO3
Molecular Weight:
236.6511
IUPAC Name:
3-acetyl-6-chloro-2-methylchromen-4-one
InChI:
InChI=1S/C12H9ClO3/c1-6(14)11-7(2)16-10-4-3-8(13)5-9(10)12(11)15/h3-5H,1-2H3
InChI Key:
AIHPRUSTMMUAMT-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)c(c(o2)C)C(=O)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:
236.024g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.651g/mol
Monoisotopic Mass:
236.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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