AG00BY6O

Name: 3-Isobutoxy-benzoic acid
Brand: Angene Chemical
SKU: AG00BY6O

350997-58-9 | 3-Isobutoxy-benzoic acid

AG00BY6O

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CAS Number	350997-58-9
Catalog Number	AG00BY6O(AGN-PC-0JWVCH)
Chemical Name	3-Isobutoxy-benzoic acid
IUPAC Name	3-(2-methylpropoxy)benzoic acid
InChI	InChI=1S/C11H14O3/c1-8(2)7-14-10-5-3-4-9(6-10)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChI Key	HNFBIJQQSNTRRR-UHFFFAOYSA-N
MDL Number	MFCD01993662
Molecular Formula	C11H14O3
Molecular Weight	194.2271
SMILES	O=C(O)C1=CC=CC(OCC(C)C)=C1
Synonyms	3-isobutoxybenzoic acid, 350997-58-9, 3-(2-methylpropoxy)benzoic acid, 3-isobutoxy-benzoic acid, Benzoic acid, 3-(2-methylpropoxy)-, AC1LHPF7, AC1Q1PSA, AK-968/41011299, SCHEMBL931583, ARONIS013067, CTK6A8953, DTXSID30357059, HNFBIJQQSNTRRR-UHFFFAOYSA-N, HMS1780G16, ZINC372013, 3-(2-Methylpropyloxy)benzoic acid, ALBB-000783, KS-000043TQ, ANW-49597, BBL009538, MFCD01993662, SBB019478, STK325200, AKOS000109255, MCULE-3044719672, RTR-051246, AJ-20267, SY014317, AB0024400, DB-069114, TR-051246, BB 0245706, FT-0705532, R5278, ST45049777, W5670, EN300-11405, MFCD01993662 (95%), J-019881, C11H14O3, CID841792,

Complexity	189
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

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