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88726-39-0 | Cyclopentanone, 2-(2,3-butadienyl)-
CAS No: 88726-39-0 Catalog No: AG004538 MDL No:
Product Description
Catalog Number:
AG004538
Chemical Name:
Cyclopentanone, 2-(2,3-butadienyl)-
CAS Number:
88726-39-0
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
2-buta-2,3-dienylcyclopentan-1-one
InChI:
InChI=1S/C9H12O/c1-2-3-5-8-6-4-7-9(8)10/h3,8H,1,4-7H2
InChI Key:
YAMMQCKJIGFNPQ-UHFFFAOYSA-N
SMILES:
C=C=CCC1CCCC1=O
Properties
Complexity:
175
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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