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197635-86-2 | Benzene, 1-methyl-4-(1-octyn-1-yl)-
CAS No: 197635-86-2 Catalog No: AG002AXR MDL No:
Product Description
Catalog Number:
AG002AXR
Chemical Name:
Benzene, 1-methyl-4-(1-octyn-1-yl)-
CAS Number:
197635-86-2
Molecular Formula:
C15H20
Molecular Weight:
200.3193
IUPAC Name:
1-methyl-4-oct-1-ynylbenzene
InChI:
InChI=1S/C15H20/c1-3-4-5-6-7-8-9-15-12-10-14(2)11-13-15/h10-13H,3-7H2,1-2H3
InChI Key:
JOZXAXXHNSRVSV-UHFFFAOYSA-N
SMILES:
CCCCCCC#Cc1ccc(cc1)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.325g/mol
Monoisotopic Mass:
200.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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