AG004PC1

Name: Ethyl 3-(4-boronobenzamido)propionate
Brand: Angene Chemical
SKU: AG004PC1

850568-19-3 | Ethyl 3-(4-boronobenzamido)propionate

AG004PC1

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CAS Number	850568-19-3
Catalog Number	AG004PC1(AGN-PC-0UX3KO)
Chemical Name	Ethyl 3-(4-boronobenzamido)propionate
IUPAC Name	[4-[(3-ethoxy-3-oxopropyl)carbamoyl]phenyl]boronic acid
InChI	InChI=1S/C12H16BNO5/c1-2-19-11(15)7-8-14-12(16)9-3-5-10(6-4-9)13(17)18/h3-6,17-18H,2,7-8H2,1H3,(H,14,16)
InChI Key	KXZXCGXIKIEDCR-UHFFFAOYSA-N
MDL Number	MFCD04115673
Molecular Formula	C12H16BNO5
Molecular Weight	265.0701
SMILES	O=C(C1=CC=C(B(O)O)C=C1)NCCC(OCC)=O
Synonyms	850568-19-3, Ethyl 3-(4-boronobenzamido)propionate, 4-[(3-Ethoxy-3-oxopropyl)carbamoyl]benzeneboronic acid, (4-((3-Ethoxy-3-oxopropyl)carbamoyl)phenyl)boronic acid, 4-(3-ethoxy-3-oxopropylcarbamoyl)phenylboronic acid, ACMC-209q1i, SCHEMBL1403590, CTK5F3949, DTXSID60657211, ANW-38020, MFCD04115673, AKOS015833685, ethyl 3-(4-boronobenzamido)propanoate, ZINC169745323, AB20367, RTR-026481, Ethyl N-(4-boronobenzoyl)-beta-alaninate, TR-026481, X2406, B-4174, ETHYL 3-(4-BORONOBENZOYLAMINO)PROPIONATE, 4-[(3-ethoxy-3-oxopropyl)carbamoyl]phenylboronic acid, I01-10608, C12H16BNO5, ACN-042725,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.112g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	265.072g/mol
Monoisotopic Mass	265.112g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	95.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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