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147324-66-1 | Butanoic acid, 3-methyl-2-[[(phenylamino)carbonyl]oxy]-, (2S)-
CAS No: 147324-66-1 Catalog No: AG001ESS MDL No:
Product Description
Catalog Number:
AG001ESS
Chemical Name:
Butanoic acid, 3-methyl-2-[[(phenylamino)carbonyl]oxy]-, (2S)-
CAS Number:
147324-66-1
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
(2S)-3-methyl-2-(phenylcarbamoyloxy)butanoic acid
InChI:
InChI=1S/C12H15NO4/c1-8(2)10(11(14)15)17-12(16)13-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,16)(H,14,15)/t10-/m0/s1
InChI Key:
XRNZZNBEUWSFQS-JTQLQIEISA-N
SMILES:
CC([C@@H](C(=O)O)OC(=O)Nc1ccccc1)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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