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130049-82-0 | 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-
CAS No: 130049-82-0 Catalog No: AG000TYG MDL No:MFCD09835552
Product Description
Catalog Number:
AG000TYG
Chemical Name:
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-
CAS Number:
130049-82-0
Molecular Formula:
C11H15ClN2O2
Molecular Weight:
242.7020
MDL Number:
MFCD09835552
IUPAC Name:
3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C11H15ClN2O2/c1-7-8(4-5-12)11(16)14-6-2-3-9(15)10(14)13-7/h9,15H,2-6H2,1H3
InChI Key:
JKVUGXRJSYRXFN-UHFFFAOYSA-N
SMILES:
ClCCc1c(C)nc2n(c1=O)CCCC2O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.703g/mol
Monoisotopic Mass:
242.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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