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881-61-8 | 2H-1-Benzopyran-6-carboxaldehyde, 7-hydroxy-2-oxo-
CAS No: 881-61-8 Catalog No: AG004E5P MDL No:
Product Description
Catalog Number:
AG004E5P
Chemical Name:
2H-1-Benzopyran-6-carboxaldehyde, 7-hydroxy-2-oxo-
CAS Number:
881-61-8
Molecular Formula:
C10H6O4
Molecular Weight:
190.1522
IUPAC Name:
7-hydroxy-2-oxochromene-6-carbaldehyde
InChI:
InChI=1S/C10H6O4/c11-5-7-3-6-1-2-10(13)14-9(6)4-8(7)12/h1-5,12H
InChI Key:
YYVVBACXPUHKFH-UHFFFAOYSA-N
SMILES:
O=Cc1cc2ccc(=O)oc2cc1O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.027g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.154g/mol
Monoisotopic Mass:
190.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| The mitochondrial effects of novel apoptogenic molecules generated by psoralen photolysis as a crucial mechanism in PUVA therapy. | Blood 20070601 |
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