AG001QS2

15872-42-1 | Benzoic acid, 4-(heptyloxy)-

AG001QS2

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CAS Number	15872-42-1
Catalog Number	AG001QS2(AGN-PC-0JLVIM)
Chemical Name	Benzoic acid, 4-(heptyloxy)-
EC Number	239-995-3
IUPAC Name	4-heptoxybenzoic acid
InChI	InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3,(H,15,16)
InChI Key	ZRVIYEJYXIDATJ-UHFFFAOYSA-N
MDL Number	MFCD00013992
Molecular Formula	C14H20O3
Molecular Weight	236.3068
NSC Number	73158
SMILES	O=C(O)C1=CC=C(OCCCCCCC)C=C1
UNII	BJ0YZC8ZY8
Synonyms	4-(Heptyloxy)benzoic acid, 15872-42-1, 4-n-Heptyloxybenzoic acid, 4-Heptyloxybenzoic acid, p-Heptoxybenzoic acid, Benzoic acid, 4-(heptyloxy)-, p-Heptyloxybenzoic acid, UNII-BJ0YZC8ZY8, Benzoic acid, p-(heptyloxy)-, p-n-Heptyloxybenzoic acid, BJ0YZC8ZY8, p-(Heptyloxy)benzoic acid, CHEBI:34405, ZRVIYEJYXIDATJ-UHFFFAOYSA-N, MFCD00013992, 4-(heptyloxy)benzoate, W-107992, 4-(Heptyloxy)benzoic acid acid, 4-Heptyloxybenzoicacid, EINECS 239-995-3, 4-heptoxybenzoic acid, PubChem2670, ACMC-209div, AC1Q2WDD, 4-Heptyloxy-benzoic acid, Maybridge1_004062, 4-(Heptyloxy)benzoicAcid, 4-n-Heptyloxy benzoic acid, AC1Q5U1I, NCIOpen2_003963, 4-N-HeptYl-Oxybenzoic Acid, AKOS BBB/272, N-HEPTYLOXYBENZOIC ACID, SCHEMBL371494, AC1L38W9, ARONIS010108, p-HEPTYLOXY BENZOIC ACID, Jsp003148, RARECHEM AL BE 0257, CHEMBL1161944, DTXSID5036636, HMS553A16, TIMTEC-BB SBB008049, BBB/272, ATTERCOP-CHM AT126229, 4-(Heptyloxy)benzoic acid, 98%, ACT04848, ALBB-006570, KS-000014KQ, NSC73158, ZINC1698904, ZX-AN006240, ZX-AS003511, 5016AD, ANW-21797, LABOTEST-BB LT00114431, NSC-73158, SBB008049, STK501099, AKOS000319519, AS01291, FR-0805, MCULE-2681169533, RP28233, VZ29479, KS-000041K6, NCGC00326225-01, AC-13513, AB0005305, AX8018638, BB0287078, BC1639996, TR-006694, FT-0619171, ST45046840, C14274, Y-9249, AB01320752-02, C-51644, I01-5295, C14H20O3, CID85154, AR-1F7014, C14-H20-O3, A3505, H0248, 4-n-Heptyloxybenzoic acid, 98% - 25G 25g, 1614-59-1,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.141g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	236.311g/mol
Monoisotopic Mass	236.141g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

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