AG00ECBL

64190-52-9 | (7Ar)-1-[(2s)-1-hydroxypropan-2-yl]-7a-methyl-octahydro-1h-inden-4-ol

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CAS Number	64190-52-9
Catalog Number	AG00ECBL(AGN-PC-0001WE)
Chemical Name	(7Ar)-1-[(2s)-1-hydroxypropan-2-yl]-7a-methyl-octahydro-1h-inden-4-ol
IUPAC Name	(1R,3aR,4S,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
InChI	InChI=1S/C13H24O2/c1-9(8-14)10-5-6-11-12(15)4-3-7-13(10,11)2/h9-12,14-15H,3-8H2,1-2H3/t9-,10-,11+,12+,13-/m1/s1
InChI Key	FUBPRYXDIHQLGH-NAWOPXAZSA-N
MDL Number	MFCD00144484
Molecular Formula	C13H24O2
Molecular Weight	212.3285
SMILES	OC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCC[C@]12C)O
Synonyms	Inhoffen Lythgoe diol, 64190-52-9, (1R,3aR,4S,7aR)-1-[(1S)-2-hydroxy-1-methyl-ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol, Inhoffen Lyth;e Diol, 1-(2-Hydroxy-1-methyl-ethyl)-7a-methyl-octahydro-inden-4-ol, SCHEMBL2678324, CHEMBL2063144, (1R,3aR,4S,7aR)-1-((S)-1-hydroxypropan-2-yl)-7a-methyloctahydro-1H-inden-4-ol, 1R,3aR,4S,7aR)-1-((S)-1-Hydroxypropan-2-yl)-7a-methyloctahydro-1H-inden-4-ol, FUBPRYXDIHQLGH-NAWOPXAZSA-N, BCP10025, CS-M0511, 3738AH, ZINC22061424, AKOS017343723, AC-8893, AN-7580, API0006443, AK175908, 190I529, (|AS,1R,3aR,4S,7aR)-Octahydro-4-hydroxy-|A,7a-dimethyl-1H-indene-1-ethanol, (1R,3aR,4S,7aR)-octahydro-1-{(S)-1-hydroxypropane-2-yl}-7a-methyl-1H-indene-4-ol, (3aalpha,betaS)-7abeta,beta-Dimethyl-4beta-hydroxyoctahydro-1H-indene-1beta-ethanol, Inhoffen-Lythgoe diol, C13H24O2, ACN-032165, CID11042078, 1H-Indene-1-ethanol, octahydro-4-hydroxy-, 1H-Indene-1-ethanol, octahydro-4-hydroxy-beta,7a-dimethyl-, (betaS,1R,3aR,4S,7aR)-, (3aS,4S,7aR)-1-[(2R)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	212.178g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	212.333g/mol
Monoisotopic Mass	212.178g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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