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123354-93-8 | Benzoic acid, 4-ethoxy-, 2-[(1-methylethyl)amino]ethyl ester
CAS No: 123354-93-8 Catalog No: AG000KFW MDL No:
Product Description
Catalog Number:
AG000KFW
Chemical Name:
Benzoic acid, 4-ethoxy-, 2-[(1-methylethyl)amino]ethyl ester
CAS Number:
123354-93-8
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
IUPAC Name:
2-(propan-2-ylamino)ethyl 4-ethoxybenzoate
InChI:
InChI=1S/C14H21NO3/c1-4-17-13-7-5-12(6-8-13)14(16)18-10-9-15-11(2)3/h5-8,11,15H,4,9-10H2,1-3H3
InChI Key:
IHSIQLCMWPVNCC-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(=O)OCCNC(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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