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29119-44-6 | 2-Cyclopenten-1-one, 2-(2-pentyn-1-yl)-
CAS No: 29119-44-6 Catalog No: AG002XDT MDL No:
Product Description
Catalog Number:
AG002XDT
Chemical Name:
2-Cyclopenten-1-one, 2-(2-pentyn-1-yl)-
CAS Number:
29119-44-6
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
IUPAC Name:
2-pent-2-ynylcyclopent-2-en-1-one
InChI:
InChI=1S/C10H12O/c1-2-3-4-6-9-7-5-8-10(9)11/h7H,2,5-6,8H2,1H3
InChI Key:
JTIYMSLFEKLTQA-UHFFFAOYSA-N
SMILES:
CCC#CCC1=CCCC1=O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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