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125574-48-3 | Butanoic acid, (1R)-1-(4-methoxyphenyl)ethyl ester
CAS No: 125574-48-3 Catalog No: AG000NWP MDL No:
Product Description
Catalog Number:
AG000NWP
Chemical Name:
Butanoic acid, (1R)-1-(4-methoxyphenyl)ethyl ester
CAS Number:
125574-48-3
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
1-(4-methoxyphenyl)ethyl butanoate
InChI:
InChI=1S/C13H18O3/c1-4-5-13(14)16-10(2)11-6-8-12(15-3)9-7-11/h6-10H,4-5H2,1-3H3
InChI Key:
DQZASWBIXLZDSR-UHFFFAOYSA-N
SMILES:
CCCC(=O)O[C@@H](c1ccc(cc1)OC)C
Properties
Complexity:
207
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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