AG003180

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CAS Number	30762-00-6
Catalog Number	AG003180(AGN-PC-0JRHXG)
Chemical Name	Benzoic acid, 4-(2-methylpropoxy)-
IUPAC Name	4-(2-methylpropoxy)benzoic acid
InChI	InChI=1S/C11H14O3/c1-8(2)7-14-10-5-3-9(4-6-10)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChI Key	WTIHDAFXKHTFEG-UHFFFAOYSA-N
MDL Number	MFCD01993659
Molecular Formula	C11H14O3
Molecular Weight	194.2271
SMILES	O=C(O)C1=CC=C(OCC(C)C)C=C1
Synonyms	4-Isobutoxybenzoic acid, 30762-00-6, 4-Isobutoxy-benzoic acid, 4-(2-methylpropoxy)benzoic acid, Benzoic acid, 4-(2-methylpropoxy)-, p-isobutoxybenzoic acid, AC1LA2TN, AC1Q1PSP, SCHEMBL834902, ARONIS010001, CTK4G5875, DTXSID30332725, WTIHDAFXKHTFEG-UHFFFAOYSA-N, ZINC280951, 4-(2-Methylpropyloxy)benzoic acid, ALBB-000782, KS-000041HA, 4-Isobutoxybenzoic acid, AldrichCPR, Benzoic acid,4-(2-methylpropoxy)-, 9768AD, BBL018995, MFCD01993659, SBB018029, STK060729, AKOS000109256, MCULE-6483439955, BAS 03706136, AB0152883, TR-013185, BB 0218483, FT-0676711, ST45046736, EN300-04349, Z-0100, I01-13130, Z56862705, F3146-0010, C11H14O3, CID460689,

Complexity	181
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	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited