AG003RW4

62435-37-4 | Methyl 4-n-octyloxybenzoate

AG003RW4

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CAS Number	62435-37-4
Catalog Number	AG003RW4(AGN-PC-0KK85P)
Chemical Name	Methyl 4-n-octyloxybenzoate
EC Number	613-032-0
IUPAC Name	methyl 4-octoxybenzoate
InChI	InChI=1S/C16H24O3/c1-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18-2/h9-12H,3-8,13H2,1-2H3
InChI Key	JCVLYBQFVTYGKT-UHFFFAOYSA-N
MDL Number	MFCD00070805
Molecular Formula	C16H24O3
Molecular Weight	264.3600
SMILES	CCCCCCCCOC1=CC=C(C=C1)C(=O)OC
Synonyms	Methyl 4-n-octyloxybenzoate, 62435-37-4, Methyl 4-octyloxybenzoate, methyl 4-(octyloxy)benzoate, Methyl 4-octoxybenzoate, JCVLYBQFVTYGKT-UHFFFAOYSA-N, 4-Octyloxybenzoic acid methyl ester, AC1MC6I9, SCHEMBL3051368, RARECHEM AL BF 0240, CTK8G1009, DTXSID00371702, ZINC2149424, KM0613, MFCD00070805, AKOS009159038, AS01343, MCULE-5411132054, Benzoic acid,4-(octyloxy)-,methyl ester, PS-11040, 4-N-OCTYLOXYBENZOIC ACID METHYL ESTER, FT-0628656, ST50827382, I14-100199, METHYL4-N-OCTYLOXYBENZOATE, CID2736917,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.173g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	264.365g/mol
Monoisotopic Mass	264.173g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

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

Lot Number