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13252-80-7 | 2H-1-Benzopyran-2-one, 3-acetyl-6-methoxy-
CAS No: 13252-80-7 Catalog No: AG0010S5 MDL No:MFCD00488452
Product Description
Catalog Number:
AG0010S5
Chemical Name:
2H-1-Benzopyran-2-one, 3-acetyl-6-methoxy-
CAS Number:
13252-80-7
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
MDL Number:
MFCD00488452
IUPAC Name:
3-acetyl-6-methoxychromen-2-one
InChI:
InChI=1S/C12H10O4/c1-7(13)10-6-8-5-9(15-2)3-4-11(8)16-12(10)14/h3-6H,1-2H3
InChI Key:
AAVQBJDAXLIBIO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(c(=O)o2)C(=O)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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