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1443345-00-3 | 3,5-Dimethyl-4-methoxyphenethyl acetate
CAS No: 1443345-00-3 Catalog No: AG01FCEO MDL No:
Product Description
Catalog Number:
AG01FCEO
Chemical Name:
3,5-Dimethyl-4-methoxyphenethyl acetate
CAS Number:
1443345-00-3
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
2-(4-methoxy-3,5-dimethylphenyl)ethyl acetate
InChI:
InChI=1S/C13H18O3/c1-9-7-12(5-6-16-11(3)14)8-10(2)13(9)15-4/h7-8H,5-6H2,1-4H3
InChI Key:
RUBDKIJPLVADEC-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1C)CCOC(=O)C
Properties
Complexity:
215
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:
2.8
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