AG003BH4

24047-72-1 | (1R,2R,5R)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one

AG003BH4

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CAS Number	24047-72-1
Catalog Number	AG003BH4(AGN-PC-0O859E)
Chemical Name	(1R,2R,5R)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
IUPAC Name	(1R,2R,5R)-2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
InChI	InChI=1S/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3/t6-,7-,10-/m1/s1
InChI Key	VZRRCQOUNSHSGB-BRDIYROLSA-N
MDL Number	MFCD00191522
Molecular Formula	C10H16O2
Molecular Weight	168.2328
SMILES	CC1(C)[C@@H]2C[C@H]1[C@@](C)(O)C(=O)C2
Synonyms	24047-72-1, (1R,2R,5R)-(+)-2-Hydroxy-3-pinanone, (1R,2R,5R)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one, (+)-(1R,2R,5R)-2-Hydroxy-3-pinanone, (1R,4R,5R)-4-hydroxy-4,6,6-trimethylbicyclo[3.1.1]heptan-3-one, Bicyclo[3.1.1]heptan-3-one, 2-hydroxy-2,6,6-trimethyl-, (1R,2R,5R)-, (1R,2R,5R)-2-hydroxy-3-pinanone, VZRRCQOUNSHSGB-BRDIYROLSA-N, PubChem18156, AC1O6JRR, (+)-2-Hydroxypinocamphone, (1R,2R,5R)-Hydroxypinanone, SCHEMBL1171547, (+)-2|A-Hydroxy-3-pinanone, CTK8B1279, ZINC389859, 1729AB, ANW-25308, CH-854, MFCD00191522, AKOS015855447, FCH3976556, (+)-2|A-Hydroxy-10|A-pinan-3-one, AJ-20981, AK-34297, ZB011907, AX8043709, TR-011130, (1R,2R.5R)-(+)-2-Hydroxy-3-pinanone, FT-0604408, 047H721, I14-10179, [1R-(1|A,2|A.,5|A)]- (+)-2-Hydroxy-3-pinanone, (1R,2R,5R)-(+)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one, Oxypinone, 2-Hydroxy-3-pinanone, C10H16O2, CB10229, CID6553882, H0862,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	168.115g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.236g/mol
Monoisotopic Mass	168.115g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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