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100348-93-4 | 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-methyl-, (8aR)-
CAS No: 100348-93-4 Catalog No: AG0001O7 MDL No:MFCD00063004
Product Description
Catalog Number:
AG0001O7
Chemical Name:
1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-methyl-, (8aR)-
CAS Number:
100348-93-4
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00063004
IUPAC Name:
(8aR)-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/t11-/m1/s1
InChI Key:
DNHDRUMZDHWHKG-LLVKDONJSA-N
SMILES:
O=C1CC[C@@]2(C(=C1)CCCC2=O)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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