AG002IJ3

Name: Benzoic acid, 3-butyl-
Brand: Angene Chemical
SKU: AG002IJ3

20651-72-3 | Benzoic acid, 3-butyl-

AG002IJ3

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CAS Number	20651-72-3
Catalog Number	AG002IJ3(AGN-PC-00LESH)
Chemical Name	Benzoic acid, 3-butyl-
IUPAC Name	3-butylbenzoic acid
InChI	InChI=1S/C11H14O2/c1-2-3-5-9-6-4-7-10(8-9)11(12)13/h4,6-8H,2-3,5H2,1H3,(H,12,13)
InChI Key	BDLOUJHJYJKMON-UHFFFAOYSA-N
MDL Number	MFCD17015437
Molecular Formula	C11H14O2
Molecular Weight	178.2277
SMILES	O=C(O)C1=CC=CC(CCCC)=C1
Synonyms	3-n-Butylbenzoic acid, 3-butylbenzoic acid, 20651-72-3, Benzoic acid, 3-butyl-, m-butylbenzoic acid, SCHEMBL3387825, CTK0J0191, DTXSID00526710, ZINC39419416, AKOS026672061, FT-0759729,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.099g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

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