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Home > Aldehydes > 107586-15-2
107586-15-2 | Benzaldehyde,2-(1-octyn-1-yl)-
CAS No: 107586-15-2 Catalog No: AG007EAB MDL No:
Product Description
Catalog Number:
AG007EAB
Chemical Name:
Benzaldehyde,2-(1-octyn-1-yl)-
CAS Number:
107586-15-2
Molecular Formula:
C15H18O
Molecular Weight:
214.3028
IUPAC Name:
2-oct-1-ynylbenzaldehyde
InChI:
InChI=1S/C15H18O/c1-2-3-4-5-6-7-10-14-11-8-9-12-15(14)13-16/h8-9,11-13H,2-6H2,1H3
InChI Key:
NLLBZRLVLJWMBG-UHFFFAOYSA-N
SMILES:
CCCCCCC#Cc1ccccc1C=O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.308g/mol
Monoisotopic Mass:
214.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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