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79699-74-4 | 4-Cyclopentene-1,3-dione, 4-hydroxy-2,2,5-trimethyl-
CAS No: 79699-74-4 Catalog No: AG005IME MDL No:
Product Description
Catalog Number:
AG005IME
Chemical Name:
4-Cyclopentene-1,3-dione, 4-hydroxy-2,2,5-trimethyl-
CAS Number:
79699-74-4
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
IUPAC Name:
4-hydroxy-2,2,5-trimethylcyclopent-4-ene-1,3-dione
InChI:
InChI=1S/C8H10O3/c1-4-5(9)7(11)8(2,3)6(4)10/h9H,1-3H3
InChI Key:
DPUQCBPKEVGMGW-UHFFFAOYSA-N
SMILES:
CC1=C(O)C(=O)C(C1=O)(C)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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