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74929-23-0 | 2-Propynal,3-(4-fluorophenyl)-
CAS No: 74929-23-0 Catalog No: AG005G88 MDL No:
Product Description
Catalog Number:
AG005G88
Chemical Name:
2-Propynal,3-(4-fluorophenyl)-
CAS Number:
74929-23-0
Molecular Formula:
C9H5FO
Molecular Weight:
148.1338
IUPAC Name:
3-(4-fluorophenyl)prop-2-ynal
InChI:
InChI=1S/C9H5FO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-7H
InChI Key:
DSNQSBZDQFFZME-UHFFFAOYSA-N
SMILES:
O=CC#Cc1ccc(cc1)F
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.136g/mol
Monoisotopic Mass:
148.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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