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210829-14-4 | Cyclopentene, 1-ethynyl-2-(1-hexyn-1-yl)-
CAS No: 210829-14-4 Catalog No: AG002L06 MDL No:
Product Description
Catalog Number:
AG002L06
Chemical Name:
Cyclopentene, 1-ethynyl-2-(1-hexyn-1-yl)-
CAS Number:
210829-14-4
Molecular Formula:
C13H16
Molecular Weight:
172.2661
IUPAC Name:
1-ethynyl-2-hex-1-ynylcyclopentene
InChI:
InChI=1S/C13H16/c1-3-5-6-7-9-13-11-8-10-12(13)4-2/h2H,3,5-6,8,10-11H2,1H3
InChI Key:
CZHSDQPRHGBXGB-UHFFFAOYSA-N
SMILES:
CCCCC#CC1=C(C#C)CCC1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.125g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.271g/mol
Monoisotopic Mass:
172.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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