AG001QS3

15872-41-0 | Benzoic acid, 4-(pentyloxy)-

AG001QS3

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CAS Number	15872-41-0
Catalog Number	AG001QS3(AGN-PC-0JLVIL)
Chemical Name	Benzoic acid, 4-(pentyloxy)-
IUPAC Name	4-pentoxybenzoic acid
InChI	InChI=1S/C12H16O3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)
InChI Key	OZPPUPJQRJYTNY-UHFFFAOYSA-N
MDL Number	MFCD00013990
Molecular Formula	C12H16O3
Molecular Weight	208.2536
NSC Number	71397
SMILES	O=C(O)C1=CC=C(OCCCCC)C=C1
Synonyms	15872-41-0, 4-(Pentyloxy)benzoic acid, 4-n-Pentyloxybenzoic acid, 4-Pentyloxybenzoic acid, Benzoic acid, 4-(pentyloxy)-, p-Pentyloxybenzoic acid, 4-n-Amyloxybenzoic acid, 4-Pentoxybenzoic acid, p-Pentoxybenzoic acid, p-n-Pentyloxybenzoic acid, 4-Amyloxybenzoic Acid, p-(Pentyloxy)benzoic acid, Benzoic acid, p-(pentyloxy)-, OZPPUPJQRJYTNY-UHFFFAOYSA-N, MFCD00013990, NSC 71397, PubChem2682, p-n-pentoxybenzoic acid, p-n-Amyloxybenzoic acid, ACMC-1BUPM, AI3-12067, AC1Q2WNY, AC1Q5U1G, AKOS BBB/257, KSC493I8H, SCHEMBL503727, AC1L38W6, ARONIS009999, Jsp003147, RARECHEM AL BE 0239, DTXSID7065962, CTK3J3483, KS-00000ZFI, TIMTEC-BB SBB007786, ALBB-000944, NSC71397, ZINC1696794, ANW-21796, BBL037015, GEO-02094, LABOTEST-BB LT00000080, LABOTEST-BB LT03331538, NSC-71397, SBB007786, STK501097, AKOS000119528, Benzoic acid, p-(pentyloxy)- (8CI), AS01067, FR-0334, MCULE-2441522628, RTR-006693, VZ29494, KS-000041H8, OTAVA-BB 7119572502, UPCMLD0ENAT5641072:001, NCGC00340992-01, AJ-30319, AS-40123, SC-65285, U354, DB-001302, TR-006693, A0708, BB 0255267, FT-0637289, ST45046734, A25128, Y-9248, AB00626314-03, I01-0021, J-009526, Z57169477, F3146-0009, 4-(Pentyloxy)benzoicacid, C12H16O3, CID85153, AR-1L1669, C12-H16-O3, 4-n-Pentyloxybenzoic acid, 98% - 5G 5g, 16144-91-5,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.11g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.257g/mol
Monoisotopic Mass	208.11g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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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