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Home Other Building Blocks 3-methyl-3-[4-(propan-2-yl)phenyl]oxolane-2,5-dione

3-methyl-3-[4-(propan-2-yl)phenyl]oxolane-2,5-dione

CAS No.:
1152513-62-6
Catalog Number:
AG01ALS0
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
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Product Description
Catalog Number:
AG01ALS0
Chemical Name:
3-methyl-3-[4-(propan-2-yl)phenyl]oxolane-2,5-dione
CAS Number:
1152513-62-6
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
MDL Number:
MFCD11101915
IUPAC Name:
3-methyl-3-(4-propan-2-ylphenyl)oxolane-2,5-dione
InChI:
InChI=1S/C14H16O3/c1-9(2)10-4-6-11(7-5-10)14(3)8-12(15)17-13(14)16/h4-7,9H,8H2,1-3H3
InChI Key:
OVEOPWLAPTZYDG-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C1(C)CC(=O)OC1=O)C
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties