AG003LTS

5519-23-3 | 4-(Decyloxy)benzoic acid

AG003LTS

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CAS Number	5519-23-3
Catalog Number	AG003LTS(AGN-PC-0JMQ6L)
Chemical Name	4-(Decyloxy)benzoic acid
EC Number	611-238-5
IUPAC Name	4-decoxybenzoic acid
InChI	InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-14-20-16-12-10-15(11-13-16)17(18)19/h10-13H,2-9,14H2,1H3,(H,18,19)
InChI Key	NZNICZRIRMGOFG-UHFFFAOYSA-N
MDL Number	MFCD02668019
Molecular Formula	C17H26O3
Molecular Weight	278.3865
SMILES	O=C(O)C1=CC=C(OCCCCCCCCCC)C=C1
Synonyms	4-(Decyloxy)benzoic acid, 5519-23-3, p-Decyloxybenzoic acid, 4-n-Decyloxybenzoic acid, 4-decyloxybenzoic acid, 4-decoxybenzoic acid, NZNICZRIRMGOFG-UHFFFAOYSA-N, MFCD00020360, FR-1144, Benzoic acid,4-(decyloxy)-, PubChem2671, p-n-decyloxybenzoic acid, 4-(Decyloxy)benzoicAcid, para-decyloxy benzoic acid, SCHEMBL503960, AC1L3D07, RARECHEM AL BE 0266, CTK8E6336, TIMTEC-BB SBB008269, DTXSID10203686, 4-(Decyloxy)benzoic acid, 98%, ZINC2163681, SBB008269, STK301824, AKOS002801482, AS02490, MCULE-4621239180, VZ29477, KS-000016H4, NCGC00340153-01, AS-47902, ST005583, AX8021413, BB0295967, TR-019457, D4176, FT-0616738, AB01333541-02, A830511, I01-5448, Benzoic acid, p-(decyloxy)-, Benzoic acid, 4-(decyloxy)-, CID138527,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.188g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	278.392g/mol
Monoisotopic Mass	278.188g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number