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176645-85-5 | 3-(1H-imidazol-1-yl)-1-(4-methoxyphenyl)propan-1-one
CAS No: 176645-85-5 Catalog No: AG01A6SI MDL No:MFCD25970418
Product Description
Catalog Number:
AG01A6SI
Chemical Name:
3-(1H-imidazol-1-yl)-1-(4-methoxyphenyl)propan-1-one
CAS Number:
176645-85-5
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD25970418
IUPAC Name:
3-imidazol-1-yl-1-(4-methoxyphenyl)propan-1-one
InChI:
InChI=1S/C13H14N2O2/c1-17-12-4-2-11(3-5-12)13(16)6-8-15-9-7-14-10-15/h2-5,7,9-10H,6,8H2,1H3
InChI Key:
OXLAPCYQIDDYBW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CCn1cncc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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