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19225-16-2 | 2H-1-Benzopyran-2-one, 4-hydroxy-3-[(2-hydroxy-1-naphthalenyl)methyl]-
CAS No: 19225-16-2 Catalog No: AG002FSZ MDL No:
Product Description
Catalog Number:
AG002FSZ
Chemical Name:
2H-1-Benzopyran-2-one, 4-hydroxy-3-[(2-hydroxy-1-naphthalenyl)methyl]-
CAS Number:
19225-16-2
Molecular Formula:
C20H14O4
Molecular Weight:
318.3228
IUPAC Name:
4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)methyl]chromen-2-one
InChI:
InChI=1S/C20H14O4/c21-17-10-9-12-5-1-2-6-13(12)15(17)11-16-19(22)14-7-3-4-8-18(14)24-20(16)23/h1-10,21-22H,11H2
InChI Key:
BDWHSDJYPLQHPL-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1Cc1c(=O)oc3c(c1O)cccc3)cccc2
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.089g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.328g/mol
Monoisotopic Mass:
318.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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