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81323-56-0 | Butanoic acid, 2-oxo-4-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS No: 81323-56-0 Catalog No: AG005342 MDL No:
Product Description
Catalog Number:
AG005342
Chemical Name:
Butanoic acid, 2-oxo-4-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS Number:
81323-56-0
Molecular Formula:
C13H15NO5
Molecular Weight:
265.2619
IUPAC Name:
methyl 2-oxo-4-(phenylmethoxycarbonylamino)butanoate
InChI:
InChI=1S/C13H15NO5/c1-18-12(16)11(15)7-8-14-13(17)19-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,17)
InChI Key:
FMDRKIRRYGEMJF-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)CCNC(=O)OCc1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.265g/mol
Monoisotopic Mass:
265.095g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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