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76875-21-3 | 1H-Imidazole,2-(3-methoxyphenyl)-
CAS No: 76875-21-3 Catalog No: AG005S3E MDL No:MFCD08668845
Product Description
Catalog Number:
AG005S3E
Chemical Name:
1H-Imidazole,2-(3-methoxyphenyl)-
CAS Number:
76875-21-3
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD08668845
IUPAC Name:
2-(3-methoxyphenyl)-1H-imidazole
InChI:
InChI=1S/C10H10N2O/c1-13-9-4-2-3-8(7-9)10-11-5-6-12-10/h2-7H,1H3,(H,11,12)
InChI Key:
RHAXDUJFRIRFLY-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1ncc[nH]1
Properties
Complexity:
163
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:
1.9
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