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102587-21-3 | 2(3H)-Furanone, dihydro-4-methyl-5-propyl-, trans- (9CI)
CAS No: 102587-21-3 Catalog No: AG0007UF MDL No:
Product Description
Catalog Number:
AG0007UF
Chemical Name:
2(3H)-Furanone, dihydro-4-methyl-5-propyl-, trans- (9CI)
CAS Number:
102587-21-3
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
(4R,5S)-4-methyl-5-propyloxolan-2-one
InChI:
InChI=1S/C8H14O2/c1-3-4-7-6(2)5-8(9)10-7/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
InChI Key:
FKECOSZAEXMZOJ-RQJHMYQMSA-N
SMILES:
C[C@@H]1CC(=O)O[C@H]1CCC
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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