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128182-82-1 | Butanoic acid, 3-methyl-3-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS No: 128182-82-1 Catalog No: AG000XUD MDL No:MFCD27923767
Product Description
Catalog Number:
AG000XUD
Chemical Name:
Butanoic acid, 3-methyl-3-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS Number:
128182-82-1
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD27923767
IUPAC Name:
methyl 3-methyl-3-(phenylmethoxycarbonylamino)butanoate
InChI:
InChI=1S/C14H19NO4/c1-14(2,9-12(16)18-3)15-13(17)19-10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,17)
InChI Key:
FJIVUQFSMYTSCY-UHFFFAOYSA-N
SMILES:
COC(=O)CC(NC(=O)OCc1ccccc1)(C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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