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13156-10-0 | 2(5H)-Furanone, 3-acetyl-4,5,5-trimethyl-
CAS No: 13156-10-0 Catalog No: AG000ZFM MDL No:
Product Description
Catalog Number:
AG000ZFM
Chemical Name:
2(5H)-Furanone, 3-acetyl-4,5,5-trimethyl-
CAS Number:
13156-10-0
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
3-acetyl-4,5,5-trimethylfuran-2-one
InChI:
InChI=1S/C9H12O3/c1-5-7(6(2)10)8(11)12-9(5,3)4/h1-4H3
InChI Key:
FKCLNCHKLVJVFS-UHFFFAOYSA-N
SMILES:
CC(=O)C1=C(C)C(OC1=O)(C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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