AG00254E

17715-00-3 | Cyclohexane, 2-propyn-1-yl-

AG00254E

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CAS Number	17715-00-3
Catalog Number	AG00254E(AGN-PC-0JLWOG)
Chemical Name	Cyclohexane, 2-propyn-1-yl-
IUPAC Name	prop-2-ynylcyclohexane
InChI	InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h1,9H,3-8H2
InChI Key	UARFKZSJGDQRLF-UHFFFAOYSA-N
MDL Number	MFCD00041562
Molecular Formula	C9H14
Molecular Weight	122.2075
SMILES	C#CCC1CCCCC1
Synonyms	3-Cyclohexyl-1-propyne, 17715-00-3, prop-2-yn-1-ylcyclohexane, 1-Prop-2-ynylcyclohexane, prop-2-ynylcyclohexane, 3-Cyclohexylpropyne, 2-Propynylcyclohexane, Propyne, 3-cyclohexyl-, BRN 1849402, Cyclohexane, 2-propynyl- (9CI), prop-2-ynyl-cyclohexane, Cyclohexane, 2-propynyl-, AI3-17859, UARFKZSJGDQRLF-UHFFFAOYSA-N, MFCD00041562, 3-cyclohexylprop-1-yne, AC1L3DAC, ACMC-1C9JD, 4-05-00-00419 (Beilstein Handbook Reference), 3-Cyclohexyl-1-propyne, 97%, CTK3J1469, DTXSID90170261, ZINC2168566, ZX-AT025986, SBB069578, AKOS015840887, FCH1118087, FS-4725, RP00700, RTR-035943, ACM17715003, AJ-33882, CJ-33492, AB1003698, DB-065178, LS-125778, TR-035943, FT-0613389, FT-0615568, Y8015, C-47222, J-505101, S14-1372, I14-21135, F2147-2838, InChI=1/C9H14/c1-2-6-9-7-4-3-5-8-9/h1,9H,3-8H, null, Cyclohexane, (2-propynyl)-, C9H14, CID87265, C9-H14,

Complexity	109
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	122.11g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	122.211g/mol
Monoisotopic Mass	122.11g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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