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1889-96-9 | 2-Cyclopenten-1-one, 2,3-dihydroxy-4,4,5,5-tetramethyl-
CAS No: 1889-96-9 Catalog No: AG002HHG MDL No:MFCD09038408
Product Description
Catalog Number:
AG002HHG
Chemical Name:
2-Cyclopenten-1-one, 2,3-dihydroxy-4,4,5,5-tetramethyl-
CAS Number:
1889-96-9
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD09038408
IUPAC Name:
2,3-dihydroxy-4,4,5,5-tetramethylcyclopent-2-en-1-one
InChI:
InChI=1S/C9H14O3/c1-8(2)6(11)5(10)7(12)9(8,3)4/h10-11H,1-4H3
InChI Key:
XBDZRROTFKRVES-UHFFFAOYSA-N
SMILES:
OC1=C(O)C(C(C1=O)(C)C)(C)C
EC Number:
217-569-8
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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