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Home > Imidazoles > 1609403-92-0
1609403-92-0 | 3-(1H-imidazol-2-yl)benzoic acid hydrate
CAS No: 1609403-92-0 Catalog No: AG00J2YR MDL No:MFCD13193813
Product Description
Catalog Number:
AG00J2YR
Chemical Name:
3-(1H-imidazol-2-yl)benzoic acid hydrate
CAS Number:
1609403-92-0
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD13193813
IUPAC Name:
3-(1H-imidazol-2-yl)benzoic acid;hydrate
InChI:
InChI=1S/C10H8N2O2.H2O/c13-10(14)8-3-1-2-7(6-8)9-11-4-5-12-9;/h1-6H,(H,11,12)(H,13,14);1H2
InChI Key:
LZKZTEFZJJWBRE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ncc[nH]1.O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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