AG003MXN

6707-12-6 | Bicyclo[2.2.1]hept-5-ene-2,2-diyldimethanol

AG003MXN

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CAS Number	6707-12-6
Catalog Number	AG003MXN(AGN-PC-0069MA)
Chemical Name	Bicyclo[2.2.1]hept-5-ene-2,2-diyldimethanol
IUPAC Name	[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
InChI	InChI=1S/C9H14O2/c10-5-9(6-11)4-7-1-2-8(9)3-7/h1-2,7-8,10-11H,3-6H2
InChI Key	DSHXMENPUICESR-UHFFFAOYSA-N
MDL Number	MFCD00167595
Molecular Formula	C9H14O2
Molecular Weight	154.2063
SMILES	OCC1(CO)C(C2)C=CC2C1
Synonyms	5-NBene-2,2-DM, 5-norbornene-2,2-dimethanol, 5-Norbornene-2,2-dimethanol, 6707-12-6, Bicyclo[2.2.1]hept-5-ene-2,2-dimethanol, Bicyclo[2.2.1]hept-5-ene-2,2-diyldimethanol, DSHXMENPUICESR-UHFFFAOYSA-N, Bicyclo(2.2.1)hept-5-ene-2,2-dimethanol, AC1Q7CCW, 4,4-Di(hydroxymethyl)bicyclo(2.2.1)heptene, 2,6-dichloro-6-methylphenol, SCHEMBL466190, AC1L38M4, ACMC-1B932, Norborna-5-ene-2,2-dimethanol, CTK5C5693, 2,2-bishydroxymethyl-5-norbornene, 2,2-di-hydroxymethylnorborn-5-ene, 2,2-di-hydroxymethyl-norborn-5-ene, ANW-14062, SBB060489, 2,2-Bis(hydroxymethyl)-5-norbornene, AKOS003368786, AKOS016844286, MCULE-3836274754, KS-000016H9, AX8017992, DB-003107, TC-102807, FT-0694858, N0636, I14-9435, [2-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-yl]methanol, [5-(hydroxymethyl)-5-bicyclo[2.2.1]hept-2-enyl]methanol, [2-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-yl]methan-1-ol, AR-1H9782, CID110917, 7126-01-4,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.099g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	154.209g/mol
Monoisotopic Mass	154.099g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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

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