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Home > Aldehydes > 223609-33-4
223609-33-4 | 5-Pyrimidinecarboxaldehyde, 2-(3,3-dimethyl-1-butynyl)-
CAS No: 223609-33-4 Catalog No: AG007OP1 MDL No:
Product Description
Catalog Number:
AG007OP1
Chemical Name:
5-Pyrimidinecarboxaldehyde, 2-(3,3-dimethyl-1-butynyl)-
CAS Number:
223609-33-4
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
2-(3,3-dimethylbut-1-ynyl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C11H12N2O/c1-11(2,3)5-4-10-12-6-9(8-14)7-13-10/h6-8H,1-3H3
InChI Key:
LFNCODRCVBGYJX-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)C#CC(C)(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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