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20007-72-1 | 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-methyl-
CAS No: 20007-72-1 Catalog No: AG002CIR MDL No:MFCD00001687
Product Description
Catalog Number:
AG002CIR
Chemical Name:
1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-methyl-
CAS Number:
20007-72-1
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00001687
IUPAC Name:
8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
InChI:
InChI=1S/C11H14O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h7H,2-6H2,1H3
InChI Key:
DNHDRUMZDHWHKG-UHFFFAOYSA-N
SMILES:
O=C1CCC2(C(=C1)CCCC2=O)C
EC Number:
243-463-6
NSC Number:
87581
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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