Home Carboxys methyl 4,5-dihydro-1H-imidazole-4-carboxylate hydrochloride

methyl 4,5-dihydro-1H-imidazole-4-carboxylate hydrochloride

CAS No.:
1394729-60-2
Catalog Number:
AG01A10M
Molecular Formula:
C5H9ClN2O2
Molecular Weight:
164.5902
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Product Description
Catalog Number:
AG01A10M
Chemical Name:
methyl 4,5-dihydro-1H-imidazole-4-carboxylate hydrochloride
CAS Number:
1394729-60-2
Molecular Formula:
C5H9ClN2O2
Molecular Weight:
164.5902
MDL Number:
MFCD22392119
IUPAC Name:
methyl 4,5-dihydro-1H-imidazole-5-carboxylate;hydrochloride
InChI:
InChI=1S/C5H8N2O2.ClH/c1-9-5(8)4-2-6-3-7-4;/h3-4H,2H2,1H3,(H,6,7);1H
InChI Key:
CTBZQWYACCNIEC-UHFFFAOYSA-N
SMILES:
COC(=O)C1CNC=N1.Cl
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.035g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
164.589g/mol
Monoisotopic Mass:
164.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties