Home Other Building Blocks 1-(4-methylphenyl)prop-2-yn-1-one

1-(4-methylphenyl)prop-2-yn-1-one

CAS No.:
14377-18-5
Catalog Number:
AG01B6UV
Molecular Formula:
C10H8O
Molecular Weight:
144.1699
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Product Description
Catalog Number:
AG01B6UV
Chemical Name:
1-(4-methylphenyl)prop-2-yn-1-one
CAS Number:
14377-18-5
Molecular Formula:
C10H8O
Molecular Weight:
144.1699
MDL Number:
MFCD21262941
IUPAC Name:
1-(4-methylphenyl)prop-2-yn-1-one
InChI:
InChI=1S/C10H8O/c1-3-10(11)9-6-4-8(2)5-7-9/h1,4-7H,2H3
InChI Key:
QVIBTURITHWFBC-UHFFFAOYSA-N
SMILES:
C#CC(=O)c1ccc(cc1)C
Properties
Complexity:
188  
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:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties