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Home > Aldehydes > 175203-90-4
175203-90-4 | Benzaldehyde, 4-(1-hexyn-1-yl)-
CAS No: 175203-90-4 Catalog No: AG0020KU MDL No:MFCD00276593
Product Description
Catalog Number:
AG0020KU
Chemical Name:
Benzaldehyde, 4-(1-hexyn-1-yl)-
CAS Number:
175203-90-4
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
MDL Number:
MFCD00276593
IUPAC Name:
4-hex-1-ynylbenzaldehyde
InChI:
InChI=1S/C13H14O/c1-2-3-4-5-6-12-7-9-13(11-14)10-8-12/h7-11H,2-4H2,1H3
InChI Key:
MDAJCLIURGBJKY-UHFFFAOYSA-N
SMILES:
CCCCC#Cc1ccc(cc1)C=O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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