AG005CV2

7523-15-1 | Carbonic acid, dihexyl ester

AG005CV2

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CAS Number	7523-15-1
Catalog Number	AG005CV2(AGN-PC-0JSAOT)
Chemical Name	Carbonic acid, dihexyl ester
IUPAC Name	dihexyl carbonate
InChI	InChI=1S/C13H26O3/c1-3-5-7-9-11-15-13(14)16-12-10-8-6-4-2/h3-12H2,1-2H3
InChI Key	OKQDSOXFNBWWJL-UHFFFAOYSA-N
MDL Number	MFCD00068965
Molecular Formula	C13H26O3
Molecular Weight	230.3437
SMILES	CCCCCCOC(=O)OCCCCCC
Synonyms	Dihexyl carbonate, 7523-15-1, Carbonic acid, dihexyl ester, Di-n-hexyl carbonate, Carbonic acid dihexyl ester, OKQDSOXFNBWWJL-UHFFFAOYSA-N, AC1LAX3Q, SCHEMBL37591, CTK2G9266, DTXSID40335005, MFCD00068965, ZINC32155810, (n-C6H13)OC(O)O(n-C6H13), AK656116, DS-19848, TX-010002, Carbonicaciddihexylester, Carbonicacid,dihexylester, CID522576,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.188g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.348g/mol
Monoisotopic Mass	230.188g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.2

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

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