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178388-79-9

178388-79-9 | 1H-Imidazole-2-propanoic acid

CAS No: 178388-79-9 Catalog No: AG0025ZD MDL No:MFCD04115350

Product Description

Catalog Number:
AG0025ZD
Chemical Name:
1H-Imidazole-2-propanoic acid
CAS Number:
178388-79-9
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD04115350
IUPAC Name:
3-(1H-imidazol-2-yl)propanoic acid
InChI:
InChI=1S/C6H8N2O2/c9-6(10)2-1-5-7-3-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChI Key:
LOESLMDNPQYFOG-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ncc[nH]1

Properties

Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

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