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832109-85-0 | 2,5-Cyclohexadiene-1,4-dione, (1,1-dimethylethyl)hydroxy-
CAS No: 832109-85-0 Catalog No: AG004ZCX MDL No:
Product Description
Catalog Number:
AG004ZCX
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, (1,1-dimethylethyl)hydroxy-
CAS Number:
832109-85-0
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
2-tert-butyl-3-hydroxycyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C10H12O3/c1-10(2,3)8-6(11)4-5-7(12)9(8)13/h4-5,13H,1-3H3
InChI Key:
FPPBCRLXUHYGHR-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C(=C1O)C(C)(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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