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15017-41-1 | 2H-1-Benzopyran-2-one, 3,4-dihydro-6,7-dihydroxy-
CAS No: 15017-41-1 Catalog No: AG001MEB MDL No:
Product Description
Catalog Number:
AG001MEB
Chemical Name:
2H-1-Benzopyran-2-one, 3,4-dihydro-6,7-dihydroxy-
CAS Number:
15017-41-1
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
IUPAC Name:
6,7-dihydroxy-3,4-dihydrochromen-2-one
InChI:
InChI=1S/C9H8O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h3-4,10-11H,1-2H2
InChI Key:
QNHQEUFMIKRNTB-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(O1)cc(c(c2)O)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Bioactive dehydrotyrosyl and dehydrodopyl compounds of marine origin. | Marine drugs 20100101 |
| Caffeic acid, chlorogenic acid, and dihydrocaffeic acid metabolism: glutathione conjugate formation. | Drug metabolism and disposition: the biological fate of chemicals 20011101 |
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