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Home > Imidazoles > 89782-14-9
89782-14-9 | 2-Propenoic acid, 3-[2-(1H-imidazol-1-yl)-1H-inden-5-yl]-
CAS No: 89782-14-9 Catalog No: AG00408Z MDL No:
Product Description
Catalog Number:
AG00408Z
Chemical Name:
2-Propenoic acid, 3-[2-(1H-imidazol-1-yl)-1H-inden-5-yl]-
CAS Number:
89782-14-9
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
3-(2-imidazol-1-yl-1H-inden-5-yl)prop-2-enoic acid
InChI:
InChI=1S/C15H12N2O2/c18-15(19)4-2-11-1-3-12-8-14(9-13(12)7-11)17-6-5-16-10-17/h1-7,9-10H,8H2,(H,18,19)
InChI Key:
COADDVBGAOHHFJ-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc2c(c1)C=C(C2)n1cncc1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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