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932917-50-5 | 4-methoxy-3-[(2-methyl-1H-imidazol-1-yl)methyl]benzoic acid
CAS No: 932917-50-5 Catalog No: AG00JDB5 MDL No:MFCD10485454
Product Description
Catalog Number:
AG00JDB5
Chemical Name:
4-methoxy-3-[(2-methyl-1H-imidazol-1-yl)methyl]benzoic acid
CAS Number:
932917-50-5
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD10485454
IUPAC Name:
4-methoxy-3-[(2-methylimidazol-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C13H14N2O3/c1-9-14-5-6-15(9)8-11-7-10(13(16)17)3-4-12(11)18-2/h3-7H,8H2,1-2H3,(H,16,17)
InChI Key:
WNWFPAXZDVPPMN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Cn1ccnc1C)C(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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