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89609-40-5 | 2(3H)-Furanone, dihydro-4-methyl-5-methylene-4-(4-methyl-3-pentenyl)-
CAS No: 89609-40-5 Catalog No: AG003WTV MDL No:
Product Description
Catalog Number:
AG003WTV
Chemical Name:
2(3H)-Furanone, dihydro-4-methyl-5-methylene-4-(4-methyl-3-pentenyl)-
CAS Number:
89609-40-5
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
4-methyl-5-methylidene-4-(4-methylpent-3-enyl)oxolan-2-one
InChI:
InChI=1S/C12H18O2/c1-9(2)6-5-7-12(4)8-11(13)14-10(12)3/h6H,3,5,7-8H2,1-2,4H3
InChI Key:
DQTMFFAPFXRJBO-UHFFFAOYSA-N
SMILES:
CC(=CCCC1(C)CC(=O)OC1=C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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