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113777-15-4 | Benzenepropanoic acid, 3-methoxy-, 1-methylethyl ester
CAS No: 113777-15-4 Catalog No: AG0009NJ MDL No:
Product Description
Catalog Number:
AG0009NJ
Chemical Name:
Benzenepropanoic acid, 3-methoxy-, 1-methylethyl ester
CAS Number:
113777-15-4
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
propan-2-yl 3-(3-methoxyphenyl)propanoate
InChI:
InChI=1S/C13H18O3/c1-10(2)16-13(14)8-7-11-5-4-6-12(9-11)15-3/h4-6,9-10H,7-8H2,1-3H3
InChI Key:
MCAMHNCOVPGFBB-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CCC(=O)OC(C)C
Properties
Complexity:
213
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:
2.8
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