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502760-22-7 | 2(3H)-Furanone, 4-(3-butenyl)dihydro-5,5-dimethyl-
CAS No: 502760-22-7 Catalog No: AG006V6F MDL No:
Product Description
Catalog Number:
AG006V6F
Chemical Name:
2(3H)-Furanone, 4-(3-butenyl)dihydro-5,5-dimethyl-
CAS Number:
502760-22-7
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
4-but-3-enyl-5,5-dimethyloxolan-2-one
InChI:
InChI=1S/C10H16O2/c1-4-5-6-8-7-9(11)12-10(8,2)3/h4,8H,1,5-7H2,2-3H3
InChI Key:
LXYVHBHHJHLGMF-UHFFFAOYSA-N
SMILES:
C=CCCC1CC(=O)OC1(C)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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