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144401-98-9 | Propanoic acid, 2-[(4-methoxyphenyl)methoxy]-, ethyl ester, (2S)-
CAS No: 144401-98-9 Catalog No: AG001JHB MDL No:
Product Description
Catalog Number:
AG001JHB
Chemical Name:
Propanoic acid, 2-[(4-methoxyphenyl)methoxy]-, ethyl ester, (2S)-
CAS Number:
144401-98-9
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
IUPAC Name:
ethyl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
InChI:
InChI=1S/C13H18O4/c1-4-16-13(14)10(2)17-9-11-5-7-12(15-3)8-6-11/h5-8,10H,4,9H2,1-3H3/t10-/m0/s1
InChI Key:
CYFMUEARHUWEKH-JTQLQIEISA-N
SMILES:
CCOC(=O)[C@@H](OCc1ccc(cc1)OC)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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