AG002XDV

29118-70-5 | 5,9-Cyclododecadiene-1,2-diol, (1R,2S,5E,9Z)-rel-

AG002XDV

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CAS Number	29118-70-5
Catalog Number	AG002XDV(AGN-PC-0O8NG6)
Chemical Name	5,9-Cyclododecadiene-1,2-diol, (1R,2S,5E,9Z)-rel-
EC Number	249-449-6
IUPAC Name	(1S,2R,5E,9Z)-cyclododeca-5,9-diene-1,2-diol
InChI	InChI=1S/C12H20O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3-6,11-14H,1-2,7-10H2/b5-3-,6-4+/t11-,12+/m0/s1
InChI Key	BHYILZSOXKSYCF-NGSWUUQJSA-N
MDL Number	MFCD00021191
Molecular Formula	C12H20O2
Molecular Weight	196.2860
SMILES	O[C@H]1CCC=CCCC=C/CC[C@H]1O
Synonyms	cis,trans-5,9-Cyclododecadiene-cis-1,2-diol, 29118-70-5, MFCD00021191, ZINC17173879, cis-1,2-Dihydroxy-cis,trans-5,9-cyclododecadiene, (5E,9Z)-5,9-Cyclododecadiene-1alpha,2alpha-diol, EINECS 249-449-6, c0355, C12-H20-O2, (1R*,2S*,5Z*,9E)-5,9-Cyclododecadiene-1,2-diol,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	2
Exact Mass	196.146g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	196.29g/mol
Monoisotopic Mass	196.146g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number