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Home > Aldehydes > 104461-06-5
104461-06-5 | 5-Pyrimidinecarboxaldehyde, 2-(1,1-dimethylethyl)- (9CI)
CAS No: 104461-06-5 Catalog No: AG008SK6 MDL No:MFCD09863201
Product Description
Catalog Number:
AG008SK6
Chemical Name:
5-Pyrimidinecarboxaldehyde, 2-(1,1-dimethylethyl)- (9CI)
CAS Number:
104461-06-5
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD09863201
IUPAC Name:
2-tert-butylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H12N2O/c1-9(2,3)8-10-4-7(6-12)5-11-8/h4-6H,1-3H3
InChI Key:
UYCUWGSMCUCDQS-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)C(C)(C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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