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225654-33-1 | 1H-Imidazole, 4-phenyl-, monohydrate
CAS No: 225654-33-1 Catalog No: AG007OBC MDL No:
Product Description
Catalog Number:
AG007OBC
Chemical Name:
1H-Imidazole, 4-phenyl-, monohydrate
CAS Number:
225654-33-1
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
IUPAC Name:
5-phenyl-1H-imidazole;hydrate
InChI:
InChI=1S/C9H8N2.H2O/c1-2-4-8(5-3-1)9-6-10-7-11-9;/h1-7H,(H,10,11);1H2
InChI Key:
SQOUTFBQPSMSIY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1c[nH]cn1.O
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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