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16469-68-4 | 2-Propyn-1-one, 1-(4-methoxyphenyl)-
CAS No: 16469-68-4 Catalog No: AG001V1P MDL No:MFCD21262924
Product Description
Catalog Number:
AG001V1P
Chemical Name:
2-Propyn-1-one, 1-(4-methoxyphenyl)-
CAS Number:
16469-68-4
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
MDL Number:
MFCD21262924
IUPAC Name:
1-(4-methoxyphenyl)prop-2-yn-1-one
InChI:
InChI=1S/C10H8O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h1,4-7H,2H3
InChI Key:
QVJCRRJXMMPQKP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C#C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.172g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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