Home Other Building Blocks benzyl 2,2-dimethyl-3-oxopropanoate

benzyl 2,2-dimethyl-3-oxopropanoate

CAS No.:
97518-80-4
Catalog Number:
AG01BFL2
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
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Product Description
Catalog Number:
AG01BFL2
Chemical Name:
benzyl 2,2-dimethyl-3-oxopropanoate
CAS Number:
97518-80-4
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD28118636
IUPAC Name:
benzyl 2,2-dimethyl-3-oxopropanoate
InChI:
InChI=1S/C12H14O3/c1-12(2,9-13)11(14)15-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key:
GHICDGZYOXICST-UHFFFAOYSA-N
SMILES:
O=CC(C(=O)OCc1ccccc1)(C)C
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties