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Home > Other Heterocycles > 1565981-58-9
1565981-58-9 | 2-{bicyclo[2.2.1]heptan-2-yl}-3,4-dihydropyrimidin-4-one
CAS No: 1565981-58-9 Catalog No: AG01C3JJ MDL No:MFCD26837516
Product Description
Catalog Number:
AG01C3JJ
Chemical Name:
2-{bicyclo[2.2.1]heptan-2-yl}-3,4-dihydropyrimidin-4-one
CAS Number:
1565981-58-9
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD26837516
IUPAC Name:
2-(2-bicyclo[2.2.1]heptanyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C11H14N2O/c14-10-3-4-12-11(13-10)9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2,(H,12,13,14)
InChI Key:
UVUJGTMGCHAHBK-UHFFFAOYSA-N
SMILES:
O=c1ccnc([nH]1)C1CC2CC1CC2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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