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Home > Imidazoles > 87236-21-3
87236-21-3 | [1]Benzopyrano[3,4-d]imidazol-4(1H)-one, 1-cyclopentyl-
CAS No: 87236-21-3 Catalog No: AG004JC5 MDL No:
Product Description
Catalog Number:
AG004JC5
Chemical Name:
[1]Benzopyrano[3,4-d]imidazol-4(1H)-one, 1-cyclopentyl-
CAS Number:
87236-21-3
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.2839
IUPAC Name:
1-cyclopentylchromeno[3,4-d]imidazol-4-one
InChI:
InChI=1S/C15H14N2O2/c18-15-13-14(11-7-3-4-8-12(11)19-15)17(9-16-13)10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2
InChI Key:
VGNRXPVNAIVSPE-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2c2c1ncn2C1CCCC1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.289g/mol
Monoisotopic Mass:
254.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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