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78449-67-9 | 1,4-Dimethyl-1H-imidazole-5-carboxylic acid
CAS No: 78449-67-9 Catalog No: AG00539Z MDL No:MFCD08063163
Product Description
Catalog Number:
AG00539Z
Chemical Name:
1,4-Dimethyl-1H-imidazole-5-carboxylic acid
CAS Number:
78449-67-9
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD08063163
IUPAC Name:
3,5-dimethylimidazole-4-carboxylic acid
InChI:
InChI=1S/C6H8N2O2/c1-4-5(6(9)10)8(2)3-7-4/h3H,1-2H3,(H,9,10)
InChI Key:
OPSKQGQJCODPET-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)ncn1C
Properties
Complexity:
149
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:
1
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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