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35454-39-8

35454-39-8 | 2-(1-Methyl-1H-imidazol-4-yl)acetic acid hydrochloride

CAS No: 35454-39-8 Catalog No: AG0037ZB MDL No:MFCD00036998

Product Description

Catalog Number:
AG0037ZB
Chemical Name:
2-(1-Methyl-1H-imidazol-4-yl)acetic acid hydrochloride
CAS Number:
35454-39-8
Molecular Formula:
C6H9ClN2O2
Molecular Weight:
176.6009
MDL Number:
MFCD00036998
IUPAC Name:
2-(1-methylimidazol-4-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C6H8N2O2.ClH/c1-8-3-5(7-4-8)2-6(9)10;/h3-4H,2H2,1H3,(H,9,10);1H
InChI Key:
XVLSBASXRIOQRZ-UHFFFAOYSA-N
SMILES:
Cn1cc(nc1)CC(=O)O.Cl
EC Number:
252-577-5

Properties

Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.6g/mol
Monoisotopic Mass:
176.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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