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101458-39-3 | 2(3H)-Furanone, dihydro-5,5-dimethyl-3-(phenylmethylene)-, (3E)-
CAS No: 101458-39-3 Catalog No: AG0004IY MDL No:
Product Description
Catalog Number:
AG0004IY
Chemical Name:
2(3H)-Furanone, dihydro-5,5-dimethyl-3-(phenylmethylene)-, (3E)-
CAS Number:
101458-39-3
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
3-benzylidene-5,5-dimethyloxolan-2-one
InChI:
InChI=1S/C13H14O2/c1-13(2)9-11(12(14)15-13)8-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChI Key:
YJYNXXMKUKZVQI-UHFFFAOYSA-N
SMILES:
O=C1OC(C/C/1=C\c1ccccc1)(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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