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100288-35-5 | [3aR,(+)]-1,2,3,3aα,4,5,8,8aα-Octahydro-4α-hydroxy-5β-hydroxymethyl-2,2,8α-trimethyl-6-azulenecarbaldehyde
CAS No: 100288-35-5 Catalog No: AG009KRM MDL No:
Product Description
Catalog Number:
AG009KRM
Chemical Name:
[3aR,(+)]-1,2,3,3aα,4,5,8,8aα-Octahydro-4α-hydroxy-5β-hydroxymethyl-2,2,8α-trimethyl-6-azulenecarbaldehyde
CAS Number:
100288-35-5
IUPAC Name:
(3aR,4S,5R,8R,8aR)-4-hydroxy-5-(hydroxymethyl)-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-6-carbaldehyde
InChI:
InChI=1S/C15H24O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,7,9,11-14,17-18H,5-6,8H2,1-3H3/t9-,11+,12+,13-,14-/m0/s1
InChI Key:
MABZIKXHSLOMDZ-OMRNGCIESA-N
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
252.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.354g/mol
Monoisotopic Mass:
252.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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