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754213-70-2 | Spiro[cyclopropane-1,2'-[2H]pyrimido[1,2-a]pyrimidine](9CI)
CAS No: 754213-70-2 Catalog No: AG005LFM MDL No:
Product Description
Catalog Number:
AG005LFM
Chemical Name:
Spiro[cyclopropane-1,2'-[2H]pyrimido[1,2-a]pyrimidine](9CI)
CAS Number:
754213-70-2
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
IUPAC Name:
spiro[cyclopropane-1,2'-pyrimido[1,2-a]pyrimidine]
InChI:
InChI=1S/C9H9N3/c1-5-10-8-11-9(2-3-9)4-7-12(8)6-1/h1,4-7H,2-3H2
InChI Key:
LIXCLHXJAGHMOE-UHFFFAOYSA-N
SMILES:
c1ccn2c(=NC3(C=C2)CC3)n1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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