CAS 13741-18-9 | Phenol, 4,5-dimethyl-2-[(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-, rel- | CAS Number 13741-18-9

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13741-18-9 | Phenol, 4,5-dimethyl-2-[(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-, rel-

CAS No: 13741-18-9 Catalog No: AG00139T MDL No:

Product Description

Catalog Number:

AG00139T

Chemical Name:

Phenol, 4,5-dimethyl-2-[(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-, rel-

CAS Number:

13741-18-9

Molecular Formula:

C18H26O

Molecular Weight:

258.3984

IUPAC Name:

4,5-dimethyl-2-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol

InChI:

InChI=1S/C18H26O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h8-9,13,15,19H,6-7,10H2,1-5H3/t13-,15+,18+/m1/s1

InChI Key:

RNRHMQWZFJXKLZ-XUWXXGDYSA-N

SMILES:

Oc1cc(C)c(cc1[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C)C

EC Number:

237-312-3

Properties

Complexity:

361

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.198g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.405g/mol

Monoisotopic Mass:

258.198g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6

Literature

Title	Journal
The flexible Triac-Brace for conservative treatment of idiopathic scoliosis. An alternative treatment option?	Acta orthopaedica Belgica 20080801
Liquid spray formulations of xibornol by using self-microemulsifying drug delivery systems.	International journal of pharmaceutics 20070801