Home Sulfos Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-, 4-methylbenzenesulfonate (1:1)

Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-, 4-methylbenzenesulfonate (1:1)

CAS No.:
1159609-95-6
Catalog Number:
AG000H7F
Molecular Formula:
C15H21NO5S
Molecular Weight:
327.3959
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Product Description
Catalog Number:
AG000H7F
Chemical Name:
Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-, 4-methylbenzenesulfonate (1:1)
CAS Number:
1159609-95-6
Molecular Formula:
C15H21NO5S
Molecular Weight:
327.3959
MDL Number:
MFCD11870874
IUPAC Name:
ethyl (1R,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C8H13NO2.C7H8O3S/c1-3-6-5-8(6,9)7(10)11-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h3,6H,1,4-5,9H2,2H3;2-5H,1H3,(H,8,9,10)/t6-,8-;/m1./s1
InChI Key:
ZVRWDUOPDWVUNQ-CIRBGYJCSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.CCOC(=O)[C@@]1(N)C[C@H]1C=C
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
327.114g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
327.395g/mol
Monoisotopic Mass:
327.114g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties