AG003M00

5438-19-7 | 4-Propoxybenzoic acid

AG003M00

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CAS Number	5438-19-7
Catalog Number	AG003M00(AGN-PC-0JMQ62)
Chemical Name	4-Propoxybenzoic acid
IUPAC Name	4-propoxybenzoic acid
InChI	InChI=1S/C10H12O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key	GDFUWFOCYZZGQU-UHFFFAOYSA-N
MDL Number	MFCD00013989
Molecular Formula	C10H12O3
Molecular Weight	180.2005
NSC Number	16632
SMILES	C1=CC(=CC=C1C(O)=O)OCCC
Synonyms	4-Propoxybenzoic acid, 5438-19-7, p-Propoxybenzoic acid, 4-n-Propoxybenzoic acid, Benzoic acid, 4-propoxy-, 4-Propoxy-benzoic acid, 4-n-Propyloxybenzoic acid, Benzoic acid, p-propoxy-, p-Propyloxybenzoic acid, GDFUWFOCYZZGQU-UHFFFAOYSA-N, MFCD00013989, FR-1009, PubChem2681, 4-propoxy benzoic acid, p-carboxyphenoxy propane, p-n-Propoxybenzoic acid, ACMC-209lfv, Enamine_004326, AC1L3CXY, AC1Q2YEL, Benzoic acid,4-propoxy-, p-(n-Propoxy)benzoic acid, 4-(n-Propyloxy)benzoic acid, MLS000776293, 4-Propoxybenzoic acid, 98%, SCHEMBL175191, ARONIS010002, CHEMBL112328, CTK5A0765, BBB/260, DTXSID10202750, HMS1406E14, HMS2762C03, ACN-S004315, ALBB-000777, KS-000041HB, NSC16632, ZINC1747127, ZX-AN000770, ZX-AS003499, ZX-AT016246, ANW-32057, BBL034232, NSC-16632, SBB006543, STK397538, AKOS000114308, AS01072, MCULE-2397870856, TRA0009273, VZ29496, BBV-1087531, NCGC00246150-01, AJ-31429, AK-48907, AS-50196, BR-48907, CC-20206, SMR000371296, SY015135, U417, AB0019254, AX8000167, BB0244132, DB-001306, TR-019229, AM20060666, BB 0244132, FT-0635709, P0206, ST24032832, ST45046737, MFCD00013989 (98%), M-5483, C-06678, AKOS BBB/260, ZERENEX ZX008953, 4-PROPYLOXYBENZOIC ACID, RARECHEM AL BO 0832, 4-N-PROPOXYLBENZOIC ACID, TIMTEC-BB SBB006543, C10H12O3, CID138500, LABOTEST-BB LT00114428, LABOTEST-BB LT03332263, OTAVA-BB 7119572505,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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

Lot Number