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130985-42-1 | Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-, ethyl ester
CAS No: 130985-42-1 Catalog No: AG000V7M MDL No:MFCD18206361
Product Description
Catalog Number:
AG000V7M
Chemical Name:
Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-, ethyl ester
CAS Number:
130985-42-1
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
MDL Number:
MFCD18206361
IUPAC Name:
ethyl 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
InChI:
InChI=1S/C12H23NO4/c1-7-16-9(14)8-12(5,6)13-10(15)17-11(2,3)4/h7-8H2,1-6H3,(H,13,15)
InChI Key:
MXMKNMCSDWUFNV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(NC(=O)OC(C)(C)C)(C)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.319g/mol
Monoisotopic Mass:
245.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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