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101395-48-6 | Benzoic acid, 4-methyl-, 2-oxopropyl ester
CAS No: 101395-48-6 Catalog No: AG0004ED MDL No:
Product Description
Catalog Number:
AG0004ED
Chemical Name:
Benzoic acid, 4-methyl-, 2-oxopropyl ester
CAS Number:
101395-48-6
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
2-oxopropyl 4-methylbenzoate
InChI:
InChI=1S/C11H12O3/c1-8-3-5-10(6-4-8)11(13)14-7-9(2)12/h3-6H,7H2,1-2H3
InChI Key:
DWTFRKVZUQWJCD-UHFFFAOYSA-N
SMILES:
CC(=O)COC(=O)c1ccc(cc1)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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