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145080-94-0 | Propanoic acid, 3-(1,1-dimethylethoxy)-2-isocyanato-, methyl ester, (2S)-
CAS No: 145080-94-0 Catalog No: AG001KJG MDL No:MFCD00191536
Product Description
Catalog Number:
AG001KJG
Chemical Name:
Propanoic acid, 3-(1,1-dimethylethoxy)-2-isocyanato-, methyl ester, (2S)-
CAS Number:
145080-94-0
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
MDL Number:
MFCD00191536
IUPAC Name:
methyl (2S)-2-isocyanato-3-[(2-methylpropan-2-yl)oxy]propanoate
InChI:
InChI=1S/C9H15NO4/c1-9(2,3)14-5-7(10-6-11)8(12)13-4/h7H,5H2,1-4H3/t7-/m0/s1
InChI Key:
MMWNVZFZWRLTCL-ZETCQYMHSA-N
SMILES:
O=C=N[C@H](C(=O)OC)COC(C)(C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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