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113614-67-8 | Pentanoic acid, 4-methyl-2-[2-oxo-2-[(phenylmethoxy)amino]ethyl]-
CAS No: 113614-67-8 Catalog No: AG00095B MDL No:
Product Description
Catalog Number:
AG00095B
Chemical Name:
Pentanoic acid, 4-methyl-2-[2-oxo-2-[(phenylmethoxy)amino]ethyl]-
CAS Number:
113614-67-8
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
IUPAC Name:
4-methyl-2-[2-oxo-2-(phenylmethoxyamino)ethyl]pentanoic acid
InChI:
InChI=1S/C15H21NO4/c1-11(2)8-13(15(18)19)9-14(17)16-20-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)(H,18,19)
InChI Key:
QURSEDGAHLOUBX-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)O)CC(=O)NOCc1ccccc1)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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