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88879-94-1 | 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-methyl-2-pentyl-
CAS No: 88879-94-1 Catalog No: AG00497Y MDL No:
Product Description
Catalog Number:
AG00497Y
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-methyl-2-pentyl-
CAS Number:
88879-94-1
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
IUPAC Name:
5-hydroxy-7-methyl-2-pentyl-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C15H20O3/c1-3-4-5-6-11-9-13(17)15-12(16)7-10(2)8-14(15)18-11/h7-8,11,16H,3-6,9H2,1-2H3
InChI Key:
VKVRMHAUOQEJAC-UHFFFAOYSA-N
SMILES:
CCCCCC1CC(=O)c2c(O1)cc(cc2O)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.322g/mol
Monoisotopic Mass:
248.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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