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819871-40-4 | Benzene, 1-(cyclopentylidenemethyl)-2-ethynyl-
CAS No: 819871-40-4 Catalog No: AG0054NZ MDL No:
Product Description
Catalog Number:
AG0054NZ
Chemical Name:
Benzene, 1-(cyclopentylidenemethyl)-2-ethynyl-
CAS Number:
819871-40-4
Molecular Formula:
C14H14
Molecular Weight:
182.2610
IUPAC Name:
1-(cyclopentylidenemethyl)-2-ethynylbenzene
InChI:
InChI=1S/C14H14/c1-2-13-9-5-6-10-14(13)11-12-7-3-4-8-12/h1,5-6,9-11H,3-4,7-8H2
InChI Key:
AYENRWUZLZKHPJ-UHFFFAOYSA-N
SMILES:
C#Cc1ccccc1C=C1CCCC1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.266g/mol
Monoisotopic Mass:
182.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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