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113502-96-8 | 2-Propanone, 1-(2,3-dihydro-5-methyl-2-furanyl)-
CAS No: 113502-96-8 Catalog No: AG0008SP MDL No:
Product Description
Catalog Number:
AG0008SP
Chemical Name:
2-Propanone, 1-(2,3-dihydro-5-methyl-2-furanyl)-
CAS Number:
113502-96-8
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
1-(5-methyl-2,3-dihydrofuran-2-yl)propan-2-one
InChI:
InChI=1S/C8H12O2/c1-6(9)5-8-4-3-7(2)10-8/h3,8H,4-5H2,1-2H3
InChI Key:
ZARMPTHZRFJLHP-UHFFFAOYSA-N
SMILES:
CC(=O)CC1CC=C(O1)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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