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Home > Aldehydes > 280113-69-1
280113-69-1 | BENZALDEHYDE, 2-(2-PROPYNYLAMINO)-
CAS No: 280113-69-1 Catalog No: AG007LUB MDL No:
Product Description
Catalog Number:
AG007LUB
Chemical Name:
BENZALDEHYDE, 2-(2-PROPYNYLAMINO)-
CAS Number:
280113-69-1
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
IUPAC Name:
2-(prop-2-ynylamino)benzaldehyde
InChI:
InChI=1S/C10H9NO/c1-2-7-11-10-6-4-3-5-9(10)8-12/h1,3-6,8,11H,7H2
InChI Key:
OFHFQEKDCUJKBN-UHFFFAOYSA-N
SMILES:
C#CCNc1ccccc1C=O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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