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101723-37-9 | 2H-1-Benzopyran-2-one, 4-hydroxy-3-(2-phenylpropyl)-
CAS No: 101723-37-9 Catalog No: AG0005BR MDL No:
Product Description
Catalog Number:
AG0005BR
Chemical Name:
2H-1-Benzopyran-2-one, 4-hydroxy-3-(2-phenylpropyl)-
CAS Number:
101723-37-9
Molecular Formula:
C18H16O3
Molecular Weight:
280.3178
IUPAC Name:
4-hydroxy-3-(2-phenylpropyl)chromen-2-one
InChI:
InChI=1S/C18H16O3/c1-12(13-7-3-2-4-8-13)11-15-17(19)14-9-5-6-10-16(14)21-18(15)20/h2-10,12,19H,11H2,1H3
InChI Key:
MRBCLNRJYQYXMK-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)Cc1c(=O)oc2c(c1O)cccc2
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.323g/mol
Monoisotopic Mass:
280.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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