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124327-28-2 | Butanoic acid, 2-[4-(aminocarbonyl)phenoxy]ethyl ester
CAS No: 124327-28-2 Catalog No: AG000LUF MDL No:
Product Description
Catalog Number:
AG000LUF
Chemical Name:
Butanoic acid, 2-[4-(aminocarbonyl)phenoxy]ethyl ester
CAS Number:
124327-28-2
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
IUPAC Name:
2-(4-carbamoylphenoxy)ethyl butanoate
InChI:
InChI=1S/C13H17NO4/c1-2-3-12(15)18-9-8-17-11-6-4-10(5-7-11)13(14)16/h4-7H,2-3,8-9H2,1H3,(H2,14,16)
InChI Key:
LPFMNEQXPYTCOB-UHFFFAOYSA-N
SMILES:
CCCC(=O)OCCOc1ccc(cc1)C(=O)N
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:
4
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:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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