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163852-55-9 | 2-Butynoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS No: 163852-55-9 Catalog No: AG001UFZ MDL No:MFCD22494950
Product Description
Catalog Number:
AG001UFZ
Chemical Name:
2-Butynoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS Number:
163852-55-9
Molecular Formula:
C10H15NO4
Molecular Weight:
213.2304
MDL Number:
MFCD22494950
IUPAC Name:
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-ynoate
InChI:
InChI=1S/C10H15NO4/c1-10(2,3)15-9(13)11-7-5-6-8(12)14-4/h7H2,1-4H3,(H,11,13)
InChI Key:
UZMAPDGQRMRLIY-UHFFFAOYSA-N
SMILES:
COC(=O)C#CCNC(=O)OC(C)(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.233g/mol
Monoisotopic Mass:
213.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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