Home Carboxys rac-(2R,5S)-5-[(1H-imidazol-1-yl)methyl]oxolane-2-carboxylic acid hydrochloride, cis

rac-(2R,5S)-5-[(1H-imidazol-1-yl)methyl]oxolane-2-carboxylic acid hydrochloride, cis

CAS No.:
1969288-42-3
Catalog Number:
AG01C5M4
Molecular Formula:
C9H13ClN2O3
Molecular Weight:
232.6641
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Product Description
Catalog Number:
AG01C5M4
Chemical Name:
rac-(2R,5S)-5-[(1H-imidazol-1-yl)methyl]oxolane-2-carboxylic acid hydrochloride, cis
CAS Number:
1969288-42-3
Molecular Formula:
C9H13ClN2O3
Molecular Weight:
232.6641
MDL Number:
MFCD30011406
IUPAC Name:
(2S,5R)-5-(imidazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C9H12N2O3.ClH/c12-9(13)8-2-1-7(14-8)5-11-4-3-10-6-11;/h3-4,6-8H,1-2,5H2,(H,12,13);1H/t7-,8+;/m1./s1
InChI Key:
GHIRKDBJZDYEJW-WLYNEOFISA-N
SMILES:
OC(=O)[C@@H]1CC[C@@H](O1)Cn1cncc1.Cl
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
232.061g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
232.664g/mol
Monoisotopic Mass:
232.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties