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116262-05-6 | 2-Cyclopenten-1-one, 4-(1,1-dimethylethoxy)-, (4R)-
CAS No: 116262-05-6 Catalog No: AG000C1R MDL No:
Product Description
Catalog Number:
AG000C1R
Chemical Name:
2-Cyclopenten-1-one, 4-(1,1-dimethylethoxy)-, (4R)-
CAS Number:
116262-05-6
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
InChI:
InChI=1S/C9H14O2/c1-9(2,3)11-8-5-4-7(10)6-8/h4-5,8H,6H2,1-3H3
InChI Key:
BKXMCMSBKYTEIA-UHFFFAOYSA-N
SMILES:
CC(O[C@H]1C=CC(=O)C1)(C)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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