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114099-96-6 | Butanoic acid, 4,5-dihydro-2,5-dimethyl-4-oxo-3-furanyl ester
CAS No: 114099-96-6 Catalog No: AG000AK4 MDL No:MFCD08457803
Product Description
Catalog Number:
AG000AK4
Chemical Name:
Butanoic acid, 4,5-dihydro-2,5-dimethyl-4-oxo-3-furanyl ester
CAS Number:
114099-96-6
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
MDL Number:
MFCD08457803
IUPAC Name:
(2,5-dimethyl-4-oxofuran-3-yl) butanoate
InChI:
InChI=1S/C10H14O4/c1-4-5-8(11)14-10-7(3)13-6(2)9(10)12/h6H,4-5H2,1-3H3
InChI Key:
JOLGAERKCZYHLF-UHFFFAOYSA-N
SMILES:
CCCC(=O)OC1=C(C)OC(C1=O)C
EC Number:
601-298-0
FEMA Number:
3970
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.218g/mol
Monoisotopic Mass:
198.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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