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116279-08-4 | Cyclopentane, 2-propyn-1-yl-
CAS No: 116279-08-4 Catalog No: AG000C48 MDL No:
Product Description
Catalog Number:
AG000C48
Chemical Name:
Cyclopentane, 2-propyn-1-yl-
CAS Number:
116279-08-4
Molecular Formula:
C8H12
Molecular Weight:
108.1809
IUPAC Name:
prop-2-ynylcyclopentane
InChI:
InChI=1S/C8H12/c1-2-5-8-6-3-4-7-8/h1,8H,3-7H2
InChI Key:
VBTCAHMANZTRMG-UHFFFAOYSA-N
SMILES:
CC#CC1CCCC1
Properties
Complexity:
98.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.094g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.184g/mol
Monoisotopic Mass:
108.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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