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Home > Aldehydes > 176910-65-9
176910-65-9 | Benzaldehyde, 2-(1-propyn-1-yl)-
CAS No: 176910-65-9 Catalog No: AG0024ZH MDL No:
Product Description
Catalog Number:
AG0024ZH
Chemical Name:
Benzaldehyde, 2-(1-propyn-1-yl)-
CAS Number:
176910-65-9
Molecular Formula:
C10H8O
Molecular Weight:
144.1699
IUPAC Name:
2-prop-1-ynylbenzaldehyde
InChI:
InChI=1S/C10H8O/c1-2-5-9-6-3-4-7-10(9)8-11/h3-4,6-8H,1H3
InChI Key:
XRLAHDHMINYOJS-UHFFFAOYSA-N
SMILES:
CC#Cc1ccccc1C=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:
2.5
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