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62452-73-7 | 1-Ethynyl-4-propylbenzene
CAS No: 62452-73-7 Catalog No: AG003M0B MDL No:MFCD00173886
Product Description
Catalog Number:
AG003M0B
Chemical Name:
1-Ethynyl-4-propylbenzene
CAS Number:
62452-73-7
Molecular Formula:
C11H12
Molecular Weight:
144.2130
MDL Number:
MFCD00173886
IUPAC Name:
1-ethynyl-4-propylbenzene
InChI:
InChI=1S/C11H12/c1-3-5-11-8-6-10(4-2)7-9-11/h2,6-9H,3,5H2,1H3
InChI Key:
UVFFOABHOIMLNB-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)C#C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.217g/mol
Monoisotopic Mass:
144.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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