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89244-90-6 | 2-Cyclopenten-1-one, 5-(1,1-dimethylethyl)-
CAS No: 89244-90-6 Catalog No: AG0043VD MDL No:
Product Description
Catalog Number:
AG0043VD
Chemical Name:
2-Cyclopenten-1-one, 5-(1,1-dimethylethyl)-
CAS Number:
89244-90-6
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
5-tert-butylcyclopent-2-en-1-one
InChI:
InChI=1S/C9H14O/c1-9(2,3)7-5-4-6-8(7)10/h4,6-7H,5H2,1-3H3
InChI Key:
IJDOBJXZFNYSNG-UHFFFAOYSA-N
SMILES:
O=C1C=CCC1C(C)(C)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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