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89630-70-6 | 2(3H)-Furanone,3-chlorodihydro-3,5-dimethyl-5-phenyl-
CAS No: 89630-70-6 Catalog No: AG003WPB MDL No:
Product Description
Catalog Number:
AG003WPB
Chemical Name:
2(3H)-Furanone,3-chlorodihydro-3,5-dimethyl-5-phenyl-
CAS Number:
89630-70-6
Molecular Formula:
C12H13ClO2
Molecular Weight:
224.6834
IUPAC Name:
3-chloro-3,5-dimethyl-5-phenyloxolan-2-one
InChI:
InChI=1S/C12H13ClO2/c1-11(13)8-12(2,15-10(11)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChI Key:
AIOSGNIKZIVZJX-UHFFFAOYSA-N
SMILES:
O=C1OC(CC1(C)Cl)(C)c1ccccc1
EC Number:
289-512-5
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.684g/mol
Monoisotopic Mass:
224.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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