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86358-84-1 | Propanoic acid, 2,2-dimethyl-, 2-(2-oxopropyl)phenyl ester
CAS No: 86358-84-1 Catalog No: AG004LZA MDL No:
Product Description
Catalog Number:
AG004LZA
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 2-(2-oxopropyl)phenyl ester
CAS Number:
86358-84-1
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
[2-(2-oxopropyl)phenyl] 2,2-dimethylpropanoate
InChI:
InChI=1S/C14H18O3/c1-10(15)9-11-7-5-6-8-12(11)17-13(16)14(2,3)4/h5-8H,9H2,1-4H3
InChI Key:
MBQHOVSIXGPENT-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ccccc1OC(=O)C(C)(C)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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