Home Carboxys 2-methyl 1-prop-2-en-1-yl (2S)-aziridine-1,2-dicarboxylate

2-methyl 1-prop-2-en-1-yl (2S)-aziridine-1,2-dicarboxylate

CAS No.:
2137086-32-7
Catalog Number:
AG01EM37
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
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Product Description
Catalog Number:
AG01EM37
Chemical Name:
2-methyl 1-prop-2-en-1-yl (2S)-aziridine-1,2-dicarboxylate
CAS Number:
2137086-32-7
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
MDL Number:
MFCD31558979
IUPAC Name:
2-O-methyl 1-O-prop-2-enyl (2S)-aziridine-1,2-dicarboxylate
InChI:
InChI=1S/C8H11NO4/c1-3-4-13-8(11)9-5-6(9)7(10)12-2/h3,6H,1,4-5H2,2H3/t6-,9?/m0/s1
InChI Key:
JEZHDKNETSXTJZ-AADKRJSRSA-N
SMILES:
COC(=O)[C@@H]1CN1C(=O)OCC=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:
185.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.179g/mol
Monoisotopic Mass:
185.069g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties