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1619-32-5 | Bicyclo[3.2.1]oct-6-ene-6-carboxylic acid, 8-(hydroxymethyl)-1,7-dimethyl-4-(1-methylethyl)-, (1R,4R,5S,8S)-
CAS No: 1619-32-5 Catalog No: AG001VZ7 MDL No:
Product Description
Catalog Number:
AG001VZ7
Chemical Name:
Bicyclo[3.2.1]oct-6-ene-6-carboxylic acid, 8-(hydroxymethyl)-1,7-dimethyl-4-(1-methylethyl)-, (1R,4R,5S,8S)-
CAS Number:
1619-32-5
Molecular Formula:
C15H24O3
Molecular Weight:
252.3493
IUPAC Name:
8-(hydroxymethyl)-1,7-dimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-ene-6-carboxylic acid
InChI:
InChI=1S/C15H24O3/c1-8(2)10-5-6-15(4)9(3)12(14(17)18)13(10)11(15)7-16/h8,10-11,13,16H,5-7H2,1-4H3,(H,17,18)
InChI Key:
RBCVCNVBAWEHLS-UHFFFAOYSA-N
SMILES:
OC[C@H]1[C@@H]2[C@H](CC[C@@]1(C)C(=C2C(=O)O)C)C(C)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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