AG003LTB

1498-96-0 | 4-Butoxybenzoic acid

AG003LTB

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CAS Number	1498-96-0
Catalog Number	AG003LTB(AGN-PC-0JLAWH)
Chemical Name	4-Butoxybenzoic acid
EC Number	216-104-6
IUPAC Name	4-butoxybenzoic acid
InChI	InChI=1S/C11H14O3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
InChI Key	LAUFPZPAKULAGB-UHFFFAOYSA-N
MDL Number	MFCD00015670
Molecular Formula	C11H14O3
Molecular Weight	194.2271
NSC Number	60247
SMILES	O=C(O)C1=CC=C(OCCCC)C=C1
Synonyms	4-Butoxybenzoic acid, 1498-96-0, 4-n-Butoxybenzoic acid, p-Butoxybenzoic acid, Benzoic acid, 4-butoxy-, Benzoic acid, p-butoxy-, p-Butyloxybenzoic acid, 4-Butoxy-benzoic acid, 4-Butyloxybenzoic acid, p-n-Butoxybenzoic acid, p-n-Butyloxybenzoic acid, 4-N-BUTYLOXYBENZOIC ACID, LAUFPZPAKULAGB-UHFFFAOYSA-N, MFCD00002546, 4-ButoxybenzoicAcid, EINECS 216-104-6, PubChem2678, 4-butoxy benzoic acid, 4-4-butoxybenzoic acid, AI3-12040, AC1Q2XGE, para-n-butoxy benzoic acid, ACMC-209d3e, AC1L2J1H, AC1Q5U1F, AKOS BBB/258, 4-Butoxybenzoic acid, 98%, MLS000048769, SCHEMBL736876, ZERENEX ZX008957, ARONIS023692, RARECHEM AL BO 0489, CHEMBL1461767, CTK0H6499, TIMTEC-BB SBB000332, DTXSID50164388, HMS2172J08, HMS3353H07, ALBB-000781, NSC60247, ZINC1690099, 4635AD, ANW-21240, BBL036042, LABOTEST-BB LT00114430, NSC-60247, SBB000332, STK016466, AKOS000113874, AS02448, FR-1010, MCULE-6969570234, VZ36776, KS-000012F7, OTAVA-BB 7119572504, AJ-30036, SMR000061759, TS-00289, AB0068260, ST2405685, TR-030876, B0896, BB 0244136, FT-0646923, R1044, ST50308053, I01-5288, W-108082, Z56862706, F3146-0011, C11H14O3, CID72971, AR-1K9740, C11-H14-O3, 7262-80-8,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.094g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.23g/mol
Monoisotopic Mass	194.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number