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Home > Aldehydes > 142686-43-9
142686-43-9 | BENZALDEHYDE, 3-(1-PROPYNYL)-
CAS No: 142686-43-9 Catalog No: AG007KS9 MDL No:
Product Description
Catalog Number:
AG007KS9
Chemical Name:
BENZALDEHYDE, 3-(1-PROPYNYL)-
CAS Number:
142686-43-9
Molecular Formula:
C10H8O
Molecular Weight:
144.1699
IUPAC Name:
3-prop-1-ynylbenzaldehyde
InChI:
InChI=1S/C10H8O/c1-2-4-9-5-3-6-10(7-9)8-11/h3,5-8H,1H3
InChI Key:
WDXDGOZGXKJKAE-UHFFFAOYSA-N
SMILES:
CC#Cc1cccc(c1)C=O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.173g/mol
Monoisotopic Mass:
144.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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