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115882-28-5 | Benzoic acid, 4-[[(2-ethoxy-2-oxoethyl)amino]methyl]-, methyl ester
CAS No: 115882-28-5 Catalog No: AG000H1J MDL No:
Product Description
Catalog Number:
AG000H1J
Chemical Name:
Benzoic acid, 4-[[(2-ethoxy-2-oxoethyl)amino]methyl]-, methyl ester
CAS Number:
115882-28-5
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
IUPAC Name:
methyl 4-[[(2-ethoxy-2-oxoethyl)amino]methyl]benzoate
InChI:
InChI=1S/C13H17NO4/c1-3-18-12(15)9-14-8-10-4-6-11(7-5-10)13(16)17-2/h4-7,14H,3,8-9H2,1-2H3
InChI Key:
QJCOHNUWPTVRCP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CNCc1ccc(cc1)C(=O)OC
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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