AG01BHU4

Name: 4-(3-Methoxyphenyl)-3-methylbutanoic acid
Brand: Angene Chemical
SKU: AG01BHU4

54961-40-9 | 4-(3-Methoxyphenyl)-3-methylbutanoic acid

AG01BHU4

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CAS Number	54961-40-9
Catalog Number	AG01BHU4(AGN-PC-0SIFWA)
Chemical Name	4-(3-Methoxyphenyl)-3-methylbutanoic acid
IUPAC Name	4-(3-methoxyphenyl)-3-methylbutanoic acid
InChI	InChI=1S/C12H16O3/c1-9(7-12(13)14)6-10-4-3-5-11(8-10)15-2/h3-5,8-9H,6-7H2,1-2H3,(H,13,14)
InChI Key	TZVBTYAWKKAEOZ-UHFFFAOYSA-N
MDL Number	MFCD16307199
Molecular Formula	C12H16O3
Molecular Weight	208.2536
SMILES	COC1=CC(CC(CC(O)=O)C)=CC=C1
Synonyms	4-(3-methoxyphenyl)-3-methylbutanoic acid, 54961-40-9, SCHEMBL3170395, TZVBTYAWKKAEOZ-UHFFFAOYSA-N, AKOS017556239, Benzenebutanoic acid, 3-methoxy-beta-methyl-, FT-0705273, 3-methyl-4-[3-(methyloxy)phenyl]butanoic acid,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.11g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.257g/mol
Monoisotopic Mass	208.11g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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