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102625-28-5 | 1H-Imidazole-5-carboxylic acid, 2-(methoxymethyl)-
CAS No: 102625-28-5 Catalog No: AG0007YN MDL No:
Product Description
Catalog Number:
AG0007YN
Chemical Name:
1H-Imidazole-5-carboxylic acid, 2-(methoxymethyl)-
CAS Number:
102625-28-5
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
IUPAC Name:
2-(methoxymethyl)-1H-imidazole-5-carboxylic acid
InChI:
InChI=1S/C6H8N2O3/c1-11-3-5-7-2-4(8-5)6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)
InChI Key:
HQYYRCLFJBPFNA-UHFFFAOYSA-N
SMILES:
COCc1ncc([nH]1)C(=O)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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