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15074-24-5 | 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-phenylbutyl)-
CAS No: 15074-24-5 Catalog No: AG001MTU MDL No:
Product Description
Catalog Number:
AG001MTU
Chemical Name:
2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-phenylbutyl)-
CAS Number:
15074-24-5
Molecular Formula:
C19H18O3
Molecular Weight:
294.3444
IUPAC Name:
4-hydroxy-3-(1-phenylbutyl)chromen-2-one
InChI:
InChI=1S/C19H18O3/c1-2-8-14(13-9-4-3-5-10-13)17-18(20)15-11-6-7-12-16(15)22-19(17)21/h3-7,9-12,14,20H,2,8H2,1H3
InChI Key:
VEBNLAJYXDESLD-UHFFFAOYSA-N
SMILES:
CCCC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.35g/mol
Monoisotopic Mass:
294.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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