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1000296-72-9 | Propanoic acid, 2-ethoxy-2-methyl-, phenylmethyl ester
CAS No: 1000296-72-9 Catalog No: AG0000BO MDL No:MFCD28122815
Product Description
Catalog Number:
AG0000BO
Chemical Name:
Propanoic acid, 2-ethoxy-2-methyl-, phenylmethyl ester
CAS Number:
1000296-72-9
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD28122815
IUPAC Name:
benzyl 2-ethoxy-2-methylpropanoate
InChI:
InChI=1S/C13H18O3/c1-4-16-13(2,3)12(14)15-10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChI Key:
CNHMQZFFADAGSF-UHFFFAOYSA-N
SMILES:
CCOC(C(=O)OCc1ccccc1)(C)C
Properties
Complexity:
217
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:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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