AG0037NG

18680-27-8 | (1S,2S,3R,5S)-(+)-2,3-Pinanediol

AG0037NG

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CAS Number	18680-27-8
Catalog Number	AG0037NG(AGN-PC-0O5KZM)
Chemical Name	(1S,2S,3R,5S)-(+)-2,3-Pinanediol
EC Number	606-096-6
IUPAC Name	(1S,2S,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
InChI	InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10-/m0/s1
InChI Key	MOILFCKRQFQVFS-OORONAJNSA-N
MDL Number	MFCD00077851
Molecular Formula	C10H18O2
Molecular Weight	170.2487
SMILES	CC1(C)[C@@]2(C[C@]1(C[C@@H](O)[C@@]2(C)O)[H])[H]
UNII	Y6ZCV4AVRA
Synonyms	18680-27-8, (1S,2S,3R,5S)-(+)-2,3-pinanediol, (1S,2S,3R,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol, (1S,2S,3R,5S)-(+)-Pinanediol, (+)-Pinanediol, (+)-2-Hydroxyisopinocampheol, UNII-Y6ZCV4AVRA, MFCD00077851, Y6ZCV4AVRA, (1S,2S,3R,5S)-2,3-Pinanediol, Bicyclo[3.1.1]heptane-2,3-diol, 2,6,6-trimethyl-, (1S,2S,3R,5S)-, Pinanediol, (+)-, PINANEDIOL, (1S,2S,3R,5S)-(+)-2,6,6-trimethylbicyclo(3.1.1)heptane-2,3-diol, Bicyclo(3.1.1)heptane-2,3-diol, 2,6,6-trimethyl-, (1S,2S,3R,5S)-, (1S,2S,3R,5S)-(+)-2,3-Pinanediol, 98%, 2alpha,3alpha-Pinanediol, (1s,2s,3r,5s)-(+)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol, PubChem17357, (1S,2S,3R,5S)-(+)-pinane-2,3-diol, 2,3-Pinanediol, (1S,2S,3R,5S)-(+)-, KSC174G4P, SCHEMBL621468, Jsp003826, CTK0H4347, AOB5589, DTXSID00171941, MOILFCKRQFQVFS-OORONAJNSA-N, ACN-S003508, ACT02840, BCP27431, CS-D1770, ZINC2539352, ANW-23308, CP-340, CX1160, AKOS005256255, EBD2156441, LS40536, RTR-008635, Bicyclo(3.1.1)heptane-2,3-diol, 2,6,6-trimethyl-, (1S-(1alpha,2alpha,3alpha,5alpha))-, KS-000001B3, (1s,2s,3R,5S) - (+) pinanediol, 1S,2S,3R,5S (+)-2,3-Pinanediol, AJ-38857, AS-13984, BP-30024, BR-33861, SC-21807, AB0062993, ST2407850, TR-008635, AM20120595, P1934, (1S,2S,3R,5S)-(+)-Pinanediol, 99%, 680P278, I14-4544, W-201676, UNII-0YBA7G0JSH component MOILFCKRQFQVFS-OORONAJNSA-N, (1 S,2S,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol, (1S,2S,3R,55)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol, (1S,3R,4S,5S)-4,6,6-trimethylbicyclo[3.1.1]heptane-3,4-diol, [1S-(1|A,2|A,3|A,5|A)]-2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol, DHS Activator, * trans-1,2-Cyclohexanediamine, ACN-034694, CB10185, CID10219606, (1S,2S,3R,5S)-(+)-2,3- Pinanediol, (1S,2S,3R,5S)-(+)-Pinanediol, 98% 1g, (1S,2S,3R,5S)-( )-2,3-Pinanediol, 98% - 1G 1g,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	170.131g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	170.252g/mol
Monoisotopic Mass	170.131g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number