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15121-77-4 | 2(3H)-Furanone, 3-chlorodihydro-3-methyl-5-phenyl-
CAS No: 15121-77-4 Catalog No: AG001N63 MDL No:
Product Description
Catalog Number:
AG001N63
Chemical Name:
2(3H)-Furanone, 3-chlorodihydro-3-methyl-5-phenyl-
CAS Number:
15121-77-4
Molecular Formula:
C11H11ClO2
Molecular Weight:
210.6568
IUPAC Name:
3-chloro-3-methyl-5-phenyloxolan-2-one
InChI:
InChI=1S/C11H11ClO2/c1-11(12)7-9(14-10(11)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChI Key:
IVPWPXOKZYCQNZ-UHFFFAOYSA-N
SMILES:
O=C1OC(CC1(C)Cl)c1ccccc1
EC Number:
239-176-0
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.657g/mol
Monoisotopic Mass:
210.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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