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100052-83-3 | 1,6-Naphthalenediol, 1,2,3,4,6,7,8,8a-octahydro-8a-methyl-
CAS No: 100052-83-3 Catalog No: AG0000PB MDL No:
Product Description
Catalog Number:
AG0000PB
Chemical Name:
1,6-Naphthalenediol, 1,2,3,4,6,7,8,8a-octahydro-8a-methyl-
CAS Number:
100052-83-3
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1,6-diol
InChI:
InChI=1S/C11H18O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h7,9-10,12-13H,2-6H2,1H3
InChI Key:
GEMVWTFQNXYPRO-UHFFFAOYSA-N
SMILES:
OC1CCC2(C(=C1)CCCC2O)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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