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Home > Aldehydes > 823235-11-6
823235-11-6 | 2-Quinazolinecarboxaldehyde, 3,4-dihydro-4-oxo-3-(2-propynyl)-
CAS No: 823235-11-6 Catalog No: AG008KKX MDL No:
Product Description
Catalog Number:
AG008KKX
Chemical Name:
2-Quinazolinecarboxaldehyde, 3,4-dihydro-4-oxo-3-(2-propynyl)-
CAS Number:
823235-11-6
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
IUPAC Name:
4-oxo-3-prop-2-ynylquinazoline-2-carbaldehyde
InChI:
InChI=1S/C12H8N2O2/c1-2-7-14-11(8-15)13-10-6-4-3-5-9(10)12(14)16/h1,3-6,8H,7H2
InChI Key:
AXZUTWQIQGTCIH-UHFFFAOYSA-N
SMILES:
C#CCn1c(C=O)nc2c(c1=O)cccc2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.208g/mol
Monoisotopic Mass:
212.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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