AG000T82

126764-17-8 | 2-Hepten-4-yne, 1-chloro-6,6-dimethyl-

AG000T82

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CAS Number	126764-17-8
Catalog Number	AG000T82(AGN-PC-0084TH)
Chemical Name	2-Hepten-4-yne, 1-chloro-6,6-dimethyl-
IUPAC Name	(E)-1-chloro-6,6-dimethylhept-2-en-4-yne
InChI	InChI=1S/C9H13Cl/c1-9(2,3)7-5-4-6-8-10/h4,6H,8H2,1-3H3/b6-4+
InChI Key	ZIXABMZBMHDFEZ-GQCTYLIASA-N
MDL Number	MFCD04039160
Molecular Formula	C9H13Cl
Molecular Weight	156.6525
SMILES	CC(C)(C)C#C/C=C/CCl
Synonyms	1-chloro-6,6-dimethyl-2-hepten-4-yne, 126764-17-8, 1-Chloro-6,6-dimethyl-2-heptene-4-yne, 1-Chloro-6,6-dimethyl-5-hept-2-en-4-ino, 287471-30-1, 1-chloro-6,6-dimethylhept-2-en-4-yne, MFCD04039160, 1-chloro-6,6-dimethyl-2-hepten-4-yn, (2E)-1-chloro-6,6-dimethylhept-2-en-4-yne, (E)-1-chloro-6,6-dimethyl-hept-2-en-4-yne, 2-Hepten-4-yne, 1-chloro-6,6-dimethyl-, (2E)-, 1-Chloro-6,6-dimethyl-2-heptene-4-yne, mainly trans, (2E)-1-chloro-6,6-dimethyl-2-hepten-4-yne, TRANS-1-CHLORO-6,6-DIMETHYL-2-HEPTENE-4-YNE, C9H13Cl, SCHEMBL2768857, ZIXABMZBMHDFEZ-GQCTYLIASA-N, AM715, ACT05305, BCP28323, ZINC2525704, AN-821, CC-993, SBB067016, AKOS006222561, AKOS025149293, RP22074, AJ-37505, AN-29120, AS-13197, CC-04372, H583, SC-25846, 1-chloro-6,6-dime-thyl-2-hepten-4-yne, AB0013134, E-1-Chloro-6,6-Dimethyl-2-hepten-4-yne, RT-004376, ST2403408, ST51040092, trans 1-chloro-6,6-dimethyl-2-hepten-4-yne, (E)-1-Chloro-6,6-dimethyl-2-heptene-4-yne, M-3073, C-03635, I14-0565, I14-2715, I14-6503, J-500734, Q-200119, Not Available, ACN-034400, CID11389521, 1-Chloro-6,6-Dimethyl-2-ene-4-yne-heptane, 2-Hepten-4-yne, 1-chloro-6,6-dimethyl-, (E)-1-chloro-6,6-dimethylhept-2-en-4-yne, EC 700-081-9, 1-Chloro-6,6-dimethyl-2-hepten-4-yne, 95% - 1G 1g, 83554-69-2,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	156.071g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.653g/mol
Monoisotopic Mass	156.071g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P302+P352-P305+P351+P338-P321-P405-P501
Siginal words	normal

Certificate of Analysis

Lot Number