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113749-12-5 | 2(3H)-Furanone, 3-butyl-5-(phenylmethyl)-
CAS No: 113749-12-5 Catalog No: AG0009KT MDL No:
Product Description
Catalog Number:
AG0009KT
Chemical Name:
2(3H)-Furanone, 3-butyl-5-(phenylmethyl)-
CAS Number:
113749-12-5
Molecular Formula:
C15H18O2
Molecular Weight:
230.3022
IUPAC Name:
5-benzyl-3-butyl-3H-furan-2-one
InChI:
InChI=1S/C15H18O2/c1-2-3-9-13-11-14(17-15(13)16)10-12-7-5-4-6-8-12/h4-8,11,13H,2-3,9-10H2,1H3
InChI Key:
AKXLDPZDYGKRJX-UHFFFAOYSA-N
SMILES:
CCCCC1C=C(OC1=O)Cc1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.307g/mol
Monoisotopic Mass:
230.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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