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Home > Imidazoles > 932848-47-0
932848-47-0 | 3-(1H-imidazol-1-ylmethyl)-4-methoxybenzoic acid
CAS No: 932848-47-0 Catalog No: AG00JDB3 MDL No:MFCD10485419
Product Description
Catalog Number:
AG00JDB3
Chemical Name:
3-(1H-imidazol-1-ylmethyl)-4-methoxybenzoic acid
CAS Number:
932848-47-0
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD10485419
IUPAC Name:
3-(imidazol-1-ylmethyl)-4-methoxybenzoic acid
InChI:
InChI=1S/C12H12N2O3/c1-17-11-3-2-9(12(15)16)6-10(11)7-14-5-4-13-8-14/h2-6,8H,7H2,1H3,(H,15,16)
InChI Key:
FXQYSEITUGBQOJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Cn1cncc1)C(=O)O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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