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72575-86-1 | Propanoic acid,2-methyl-2-phenoxy-, 1-methylethyl ester
CAS No: 72575-86-1 Catalog No: AG005FY5 MDL No:
Product Description
Catalog Number:
AG005FY5
Chemical Name:
Propanoic acid,2-methyl-2-phenoxy-, 1-methylethyl ester
CAS Number:
72575-86-1
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
propan-2-yl 2-methyl-2-phenoxypropanoate
InChI:
InChI=1S/C13H18O3/c1-10(2)15-12(14)13(3,4)16-11-8-6-5-7-9-11/h5-10H,1-4H3
InChI Key:
CRHGSXZRDVJBLL-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C(Oc1ccccc1)(C)C)C
EC Number:
276-718-5
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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