AG00IARA

Name: 3-[3-(2-carboxyethyl)phenyl]propanoic Acid
Brand: Angene Chemical
SKU: AG00IARA

6082-86-6 | 3-[3-(2-carboxyethyl)phenyl]propanoic Acid

AG00IARA

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CAS Number	6082-86-6
Catalog Number	AG00IARA(AGN-PC-0KKGZW)
Chemical Name	3-[3-(2-carboxyethyl)phenyl]propanoic Acid
IUPAC Name	3-[3-(2-carboxyethyl)phenyl]propanoic acid
InChI	InChI=1S/C12H14O4/c13-11(14)6-4-9-2-1-3-10(8-9)5-7-12(15)16/h1-3,8H,4-7H2,(H,13,14)(H,15,16)
InChI Key	DIVRAHZSTAIUNB-UHFFFAOYSA-N
MDL Number	MFCD00020519
Molecular Formula	C12H14O4
Molecular Weight	222.2372
SMILES	OC(CCC1=CC(CCC(O)=O)=CC=C1)=O
Synonyms	6082-86-6, 3-[3-(2-carboxyethyl)phenyl]propanoic Acid, 1,3-Benzenedipropanoic acid, 3-(3-(2-carboxyethyl)phenyl)propanoic acid, AC1MCPHZ, 1,3-Benzenedipropanoicacid, 1,3-benzenedipropionic acid, SCHEMBL70271, CTK2F8036, ZINC2163727, AKOS004904861, MCULE-3961437544, CID2749422, 3-[3-(2-Carboxy-ethyl)-phenyl]-propionic acid,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.089g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	222.24g/mol
Monoisotopic Mass	222.089g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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