AG019WAM

Name: 4-[(Ethylsulfanyl)methyl]benzoic acid
Brand: Angene Chemical
SKU: AG019WAM

79313-52-3 | 4-[(Ethylsulfanyl)methyl]benzoic acid

AG019WAM

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CAS Number	79313-52-3
Catalog Number	AG019WAM
Chemical Name	4-[(Ethylsulfanyl)methyl]benzoic acid
IUPAC Name	4-(ethylsulfanylmethyl)benzoic acid
InChI	InChI=1S/C10H12O2S/c1-2-13-7-8-3-5-9(6-4-8)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key	BPZWKXQRFALHHD-UHFFFAOYSA-N
MDL Number	MFCD11136003
Molecular Formula	C10H12O2S
Molecular Weight	196.2661
SMILES	CCSCC1=CC=C(C(O)=O)C=C1
Synonyms	4-[(ethylsulfanyl)methyl]benzoic acid, 79313-52-3, AC1Q38HA, CTK6G5008, ZINC19869535, AKOS000220251, MCULE-4931173853, NE22532, NCGC00339240-01, EN300-51250, AB01331673-02, Z149347580,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.056g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.264g/mol
Monoisotopic Mass	196.056g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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