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72463-91-3 | 1H-Imidazole,2-[(3,4-dimethoxyphenyl)methyl]-4,5-dihydro-
CAS No: 72463-91-3 Catalog No: AG0065TQ MDL No:
Product Description
Catalog Number:
AG0065TQ
Chemical Name:
1H-Imidazole,2-[(3,4-dimethoxyphenyl)methyl]-4,5-dihydro-
CAS Number:
72463-91-3
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
2-[(3,4-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C12H16N2O2/c1-15-10-4-3-9(7-11(10)16-2)8-12-13-5-6-14-12/h3-4,7H,5-6,8H2,1-2H3,(H,13,14)
InChI Key:
VVEPDEYYAPYVLS-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CC1=NCCN1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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