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84210-00-4 | Spiro[4.5]dec-6-ene-6-carboxylicacid, 2-(1-hydroxy-1-methylethyl)-10-methyl-, [2a,5b(R*)]- (9CI)
CAS No: 84210-00-4 Catalog No: AG004RWT MDL No:
Product Description
Catalog Number:
AG004RWT
Chemical Name:
Spiro[4.5]dec-6-ene-6-carboxylicacid, 2-(1-hydroxy-1-methylethyl)-10-methyl-, [2a,5b(R*)]- (9CI)
CAS Number:
84210-00-4
Molecular Formula:
C15H24O3
Molecular Weight:
252.3493
IUPAC Name:
(3R)-3-(2-hydroxypropan-2-yl)-6-methylspiro[4.5]dec-9-ene-10-carboxylic acid
InChI:
InChI=1S/C15H24O3/c1-10-5-4-6-12(13(16)17)15(10)8-7-11(9-15)14(2,3)18/h6,10-11,18H,4-5,7-9H2,1-3H3,(H,16,17)/t10?,11-,15?/m1/s1
InChI Key:
WHUDNFJAKJGKBT-LOIXOFCESA-N
SMILES:
OC(=O)C1=CCCC(C21CC[C@H](C2)C(O)(C)C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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