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7774-60-9 | Propanoic acid,2-methyl-, 1-methyl-1-phenylethyl ester
CAS No: 7774-60-9 Catalog No: AG0057SR MDL No:
Product Description
Catalog Number:
AG0057SR
Chemical Name:
Propanoic acid,2-methyl-, 1-methyl-1-phenylethyl ester
CAS Number:
7774-60-9
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
2-phenylpropan-2-yl 2-methylpropanoate
InChI:
InChI=1S/C13H18O2/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3
InChI Key:
LQOHUFIIIKBPQC-UHFFFAOYSA-N
SMILES:
CC(C(=O)OC(c1ccccc1)(C)C)C
EC Number:
231-876-4
UNII:
40AZG77VFH
FEMA Number:
2388
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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