AG005T01

99208-90-9 | Hexadec-15-ynoic acid

AG005T01

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CAS Number	99208-90-9
Catalog Number	AG005T01(AGN-PC-0JMKUJ)
Chemical Name	Hexadec-15-ynoic acid
IUPAC Name	hexadec-15-ynoic acid
InChI	InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h1H,3-15H2,(H,17,18)
InChI Key	PUZGUNYANHPRKM-UHFFFAOYSA-N
MDL Number	MFCD22124928
Molecular Formula	C16H28O2
Molecular Weight	252.3923
SMILES	C#CCCCCCCCCCCCCCC(O)=O
Synonyms	15-hexadecynoic acid, Hexadec-15-ynoic acid, 15-Hexadecynoic acid, 99208-90-9, Alkynyl Palmitic Acid, 15-Hexadecyanoic acid, 15-Hexadecyneoic acid, AC1L2RPA, 15-Hexadecyn-1-oic acid, AC1Q5W9N, SCHEMBL2803510, CTK5I0286, DTXSID70243987, PUZGUNYANHPRKM-UHFFFAOYSA-N, ZINC5112345, AKOS025295971, AM806680, BP-23392, TX-012811, Palmitic acid (15-yne), 15-hexadecynoic acid, powder, 15-hexadecynoicacid, AR-1C0862, CID127256, C16-H28-O2, 6312-04-5,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.209g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	252.398g/mol
Monoisotopic Mass	252.209g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6

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

Lot Number