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Home > Aldehydes > 1517117-22-4
1517117-22-4 | 2-CYCLOBUTYLPYRIMIDINE-5-CARBALDEHYDE
CAS No: 1517117-22-4 Catalog No: AG01BJMZ MDL No:MFCD21117924
Product Description
Catalog Number:
AG01BJMZ
Chemical Name:
2-CYCLOBUTYLPYRIMIDINE-5-CARBALDEHYDE
CAS Number:
1517117-22-4
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD21117924
IUPAC Name:
2-cyclobutylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H10N2O/c12-6-7-4-10-9(11-5-7)8-2-1-3-8/h4-6,8H,1-3H2
InChI Key:
DVDUNOHNCYUHSG-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)C1CCC1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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