AG00DJP3

4494-16-0 | 8-Hexadecene-1,16-dicarboxylic acid

AG00DJP3

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CAS Number	4494-16-0
Catalog Number	AG00DJP3(AGN-PC-05068U)
Chemical Name	8-Hexadecene-1,16-dicarboxylic acid
EC Number	802-122-7
IUPAC Name	(E)-octadec-9-enedioic acid
InChI	InChI=1S/C18H32O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2H,3-16H2,(H,19,20)(H,21,22)/b2-1+
InChI Key	SBLKVIQSIHEQOF-OWOJBTEDSA-N
MDL Number	MFCD23135466
Molecular Formula	C18H32O4
Molecular Weight	312.4443
SMILES	OC(=O)CCCCCCCC=CCCCCCCCC(O)=O
Synonyms	Octadec-9-enedioic acid, 4494-16-0, 8-Hexadecene-1,16-dicarboxylic acid, 20701-67-1, (E)-9-Octadecenedioic acid, SCHEMBL381673, octadec-9-ene-1,18-dioic acid, 6200AB, MFCD23135466, ZINC14616324, AKOS016004973, DS-3829, AJ-65026, ST2407506, TC-150912, 4CH-017941, 9-Octadecenedioic acid, 1,18-octadec-9-enedioic acid, C18H32O4, 8-Hexadecene-1,16-dicarboxylicacid, LMFA01170056, CID9543675,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	312.23g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	312.45g/mol
Monoisotopic Mass	312.23g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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