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1889-98-1 | 1,2,3-Cyclopentanetrione, 4,4,5,5-tetramethyl-
CAS No: 1889-98-1 Catalog No: AG002HHF MDL No:
Product Description
Catalog Number:
AG002HHF
Chemical Name:
1,2,3-Cyclopentanetrione, 4,4,5,5-tetramethyl-
CAS Number:
1889-98-1
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
4,4,5,5-tetramethylcyclopentane-1,2,3-trione
InChI:
InChI=1S/C9H12O3/c1-8(2)6(11)5(10)7(12)9(8,3)4/h1-4H3
InChI Key:
BXWXMHNZDGGRGX-UHFFFAOYSA-N
SMILES:
O=C1C(=O)C(C(C1=O)(C)C)(C)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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