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828265-12-9 | 2H-1-Benzopyran-2-one, 3,4-dihydro-5-hydroxy-4-(4-hydroxyphenyl)-
CAS No: 828265-12-9 Catalog No: AG0055UL MDL No:
Product Description
Catalog Number:
AG0055UL
Chemical Name:
2H-1-Benzopyran-2-one, 3,4-dihydro-5-hydroxy-4-(4-hydroxyphenyl)-
CAS Number:
828265-12-9
Molecular Formula:
C15H12O4
Molecular Weight:
256.2534
IUPAC Name:
5-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
InChI:
InChI=1S/C15H12O4/c16-10-6-4-9(5-7-10)11-8-14(18)19-13-3-1-2-12(17)15(11)13/h1-7,11,16-17H,8H2
InChI Key:
LABVEMCSDDCRAN-UHFFFAOYSA-N
SMILES:
O=C1Oc2cccc(c2C(C1)c1ccc(cc1)O)O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.257g/mol
Monoisotopic Mass:
256.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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