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1255207-23-8 | Benzeneacetic acid, 4-cyano-3-methoxy-α-methyl-, ethyl ester
CAS No: 1255207-23-8 Catalog No: AG000NT0 MDL No:
Product Description
Catalog Number:
AG000NT0
Chemical Name:
Benzeneacetic acid, 4-cyano-3-methoxy-α-methyl-, ethyl ester
CAS Number:
1255207-23-8
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
ethyl 2-(4-cyano-3-methoxyphenyl)propanoate
InChI:
InChI=1S/C13H15NO3/c1-4-17-13(15)9(2)10-5-6-11(8-14)12(7-10)16-3/h5-7,9H,4H2,1-3H3
InChI Key:
UPJSNCXXJAWKLT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(c(c1)OC)C#N)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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