AG00104E

13205-46-4 | Benzoic acid, 4-(1-methylethoxy)-

AG00104E

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CAS Number	13205-46-4
Catalog Number	AG00104E(AGN-PC-0JLAWI)
Chemical Name	Benzoic acid, 4-(1-methylethoxy)-
EC Number	236-169-4
IUPAC Name	4-propan-2-yloxybenzoic acid
InChI	InChI=1S/C10H12O3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12)
InChI Key	ZVERWTXKKWSSHH-UHFFFAOYSA-N
MDL Number	MFCD00044318
Molecular Formula	C10H12O3
Molecular Weight	180.2005
NSC Number	16646
SMILES	CC(C)OC1=CC=C(C=C1)C(O)=O
Synonyms	4-Isopropoxybenzoic acid, 13205-46-4, Benzoic acid, 4-(1-methylethoxy)-, 4-(propan-2-yloxy)benzoic acid, 4-iso-Propyloxybenzoic acid, 4-IsopropoxybenzoicAcid, 4-Isopropoxy-benzoic acid, 4-propan-2-yloxybenzoic acid, MLS000737808, rarechem al be 0294, 4-isopropyloxybenzoic acid, 4-(1-methylethoxy)benzoic acid, ZVERWTXKKWSSHH-UHFFFAOYSA-N, Benzoic acid,4-(1-methylethoxy)-, MFCD00044318, SMR000528168, 4-(methylethoxy)benzoic acid, EINECS 236-169-4, asischem t31128, akos bbb/275, p-Isopropoxybenzoesaure, akos bb-8630, ACMC-209bog, Enamine_004238, AI3-12104, 4-isopropoxylbenzoic acid, AC1Q1QOD, AC1Q1QOE, p-iso-propoxybenzoic acid, 4-iso-propoxybenzoic acid, AC1L2J1K, cid_72972, SCHEMBL503642, 4-(Prop-2-yloxy)benzoic acid, AC1Q5U15, ARONIS010116, 4-Isopropoxybenzoic acid, 99%, CHEMBL1490033, BDBM63816, CTK4B7674, DTXSID20157323, HMS1406A14, ZINC389762, 4-(Propan-2-Yl-Oxy)Benzoic Acid, ALBB-000778, CS-M0438, KS-000016JG, KS-000041KE, NSC16646, 4-[(1-methylethyl)oxy]benzoic acid, 5923AA, ANW-19406, BBL012037, NSC-16646, SBB028609, STK397749, AKOS000109267, AS01073, MCULE-2706678981, PS-6238, VZ29269, NCGC00246758-01, AJ-20936, AB0067722, DB-042086, TR-004399, 4CH-006418, BB 0245719, FT-0618822, FT-0618841, I0432, R1749, ST24032810, ST45046847, I01-2297, I01-5270, J-006113, F3146-0089, 2-Aminoundecane, C10H12O3, CID72972, AR-1G2959, C10-H12-O3, A2783, 4-Isopropoxybenzoic acid, 99% - 25G 25g, 13205-56-6, 133383-07-0,

Complexity	169
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	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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