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15991-13-6 | 2H-1-Benzopyran-4-acetic acid, 7-hydroxy-2-oxo-, methyl ester
CAS No: 15991-13-6 Catalog No: AG001RI8 MDL No:MFCD01463811
Product Description
Catalog Number:
AG001RI8
Chemical Name:
2H-1-Benzopyran-4-acetic acid, 7-hydroxy-2-oxo-, methyl ester
CAS Number:
15991-13-6
Molecular Formula:
C12H10O5
Molecular Weight:
234.2048
MDL Number:
MFCD01463811
IUPAC Name:
methyl 2-(7-hydroxy-2-oxochromen-4-yl)acetate
InChI:
InChI=1S/C12H10O5/c1-16-11(14)4-7-5-12(15)17-10-6-8(13)2-3-9(7)10/h2-3,5-6,13H,4H2,1H3
InChI Key:
YRNMDWOVAZLMDY-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cc(=O)oc2c1ccc(c2)O
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.207g/mol
Monoisotopic Mass:
234.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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