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159622-09-0 | Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, methyl ester, (1R,2S)-
CAS No: 159622-09-0 Catalog No: AG001R8E MDL No:MFCD11867362
Product Description
Catalog Number:
AG001R8E
Chemical Name:
Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, methyl ester, (1R,2S)-
CAS Number:
159622-09-0
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
MDL Number:
MFCD11867362
IUPAC Name:
methyl (1R,2S)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
InChI:
InChI=1S/C12H19NO4/c1-6-8-7-12(8,9(14)16-5)13-10(15)17-11(2,3)4/h6,8H,1,7H2,2-5H3,(H,13,15)/t8-,12-/m1/s1
InChI Key:
MMSKTMKTGVHMAV-PRHODGIISA-N
SMILES:
C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)OC
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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