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89291-01-0 | Propanoic acid, 2,2-dimethyl-, 1-methyl-2-phenylethyl ester
CAS No: 89291-01-0 Catalog No: AG0040UX MDL No:
Product Description
Catalog Number:
AG0040UX
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 1-methyl-2-phenylethyl ester
CAS Number:
89291-01-0
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
1-phenylpropan-2-yl 2,2-dimethylpropanoate
InChI:
InChI=1S/C14H20O2/c1-11(16-13(15)14(2,3)4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
InChI Key:
QMKINCKWSYWKJB-UHFFFAOYSA-N
SMILES:
CC(Cc1ccccc1)OC(=O)C(C)(C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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