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Home > Imidazoles > 89781-67-9
89781-67-9 | 2-Propenoic acid, 3-[5,6-dihydro-7-(1H-imidazol-1-yl)-2-naphthalenyl]-
CAS No: 89781-67-9 Catalog No: AG008721 MDL No:
Product Description
Catalog Number:
AG008721
Chemical Name:
2-Propenoic acid, 3-[5,6-dihydro-7-(1H-imidazol-1-yl)-2-naphthalenyl]-
CAS Number:
89781-67-9
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
3-(7-imidazol-1-yl-5,6-dihydronaphthalen-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C16H14N2O2/c19-16(20)6-2-12-1-3-13-4-5-15(10-14(13)9-12)18-8-7-17-11-18/h1-3,6-11H,4-5H2,(H,19,20)
InChI Key:
QEWXZYAUMLAMPW-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc2c(c1)C=C(CC2)n1cncc1
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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