AG001KJC

1450754-40-1 | 6-Heptyn-3-one, 1-hydroxy-

AG001KJC

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CAS Number	1450754-40-1
Catalog Number	AG001KJC(AGN-PC-0WCTW6)
Chemical Name	6-Heptyn-3-one, 1-hydroxy-
IUPAC Name	1-hydroxyhept-6-yn-3-one
InChI	InChI=1S/C7H10O2/c1-2-3-4-7(9)5-6-8/h1,8H,3-6H2
InChI Key	ZQZAQQAINFKNQT-UHFFFAOYSA-N
MDL Number	MFCD29041964
Molecular Formula	C7H10O2
Molecular Weight	126.1531
SMILES	OCCC(CCC#C)=O
Synonyms	1-hydroxyhept-6-yn-3-one, 1450754-40-1, SCHEMBL20680924, BCP18051, MFCD29041964, AKOS030235594, ZINC238637613, AK544192, DS-19295, CS-0038477,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.068g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	126.155g/mol
Monoisotopic Mass	126.068g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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