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128666-05-7 | 1H-Imidazole, 5-methoxy-2-phenyl-
CAS No: 128666-05-7 Catalog No: AG000YAM MDL No:
Product Description
Catalog Number:
AG000YAM
Chemical Name:
1H-Imidazole, 5-methoxy-2-phenyl-
CAS Number:
128666-05-7
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
IUPAC Name:
5-methoxy-2-phenyl-1H-imidazole
InChI:
InChI=1S/C10H10N2O/c1-13-9-7-11-10(12-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)
InChI Key:
IPNOPPNJLAZLGU-UHFFFAOYSA-N
SMILES:
COc1cnc([nH]1)c1ccccc1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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