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137174-68-6 | 2(3H)-Furanone, 3-cyclohexylidene-5-[4-(1-oxopropoxy)phenyl]-
CAS No: 137174-68-6 Catalog No: AG0012W6 MDL No:
Product Description
Catalog Number:
AG0012W6
Chemical Name:
2(3H)-Furanone, 3-cyclohexylidene-5-[4-(1-oxopropoxy)phenyl]-
CAS Number:
137174-68-6
Molecular Formula:
C19H20O4
Molecular Weight:
312.3597
IUPAC Name:
[4-(4-cyclohexylidene-5-oxofuran-2-yl)phenyl] propanoate
InChI:
InChI=1S/C19H20O4/c1-2-18(20)22-15-10-8-14(9-11-15)17-12-16(19(21)23-17)13-6-4-3-5-7-13/h8-12H,2-7H2,1H3
InChI Key:
QSBOCPKQXPSXGE-UHFFFAOYSA-N
SMILES:
CCC(=O)Oc1ccc(cc1)C1=CC(=C2CCCCC2)C(=O)O1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.365g/mol
Monoisotopic Mass:
312.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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