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101563-78-4

101563-78-4 | 2(3H)-Furanone, 4-benzoyldihydro-5-methyl-

CAS No: 101563-78-4 Catalog No: AG0004TF MDL No:MFCD28348658

Product Description

Catalog Number:
AG0004TF
Chemical Name:
2(3H)-Furanone, 4-benzoyldihydro-5-methyl-
CAS Number:
101563-78-4
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD28348658
IUPAC Name:
4-benzoyl-5-methyloxolan-2-one
InChI:
InChI=1S/C12H12O3/c1-8-10(7-11(13)15-8)12(14)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChI Key:
VIPSLPMDEOPEDM-UHFFFAOYSA-N
SMILES:
CC1OC(=O)CC1C(=O)c1ccccc1

Properties

Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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