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19842-40-1 | Cyclopentanone, 2-(2-propyn-1-yl)-
CAS No: 19842-40-1 Catalog No: AG002BIP MDL No:MFCD14653427
Product Description
Catalog Number:
AG002BIP
Chemical Name:
Cyclopentanone, 2-(2-propyn-1-yl)-
CAS Number:
19842-40-1
Molecular Formula:
C8H10O
Molecular Weight:
122.1644
MDL Number:
MFCD14653427
IUPAC Name:
2-prop-2-ynylcyclopentan-1-one
InChI:
InChI=1S/C8H10O/c1-2-4-7-5-3-6-8(7)9/h1,7H,3-6H2
InChI Key:
CLPCXIOMHWOYBD-UHFFFAOYSA-N
SMILES:
C#CCC1CCCC1=O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.073g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.167g/mol
Monoisotopic Mass:
122.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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