AG00IJD2

Name: Methyl 3-(4-boronobenzamido)propionate
Brand: Angene Chemical
SKU: AG00IJD2

957034-76-3 | Methyl 3-(4-boronobenzamido)propionate

AG00IJD2

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CAS Number	957034-76-3
Catalog Number	AG00IJD2(AGN-PC-0WADTC)
Chemical Name	Methyl 3-(4-boronobenzamido)propionate
IUPAC Name	[4-[(3-methoxy-3-oxopropyl)carbamoyl]phenyl]boronic acid
InChI	InChI=1S/C11H14BNO5/c1-18-10(14)6-7-13-11(15)8-2-4-9(5-3-8)12(16)17/h2-5,16-17H,6-7H2,1H3,(H,13,15)
InChI Key	NROXSDVUSUSOLU-UHFFFAOYSA-N
MDL Number	MFCD09475830
Molecular Formula	C11H14BNO5
Molecular Weight	251.0436
SMILES	O=C(OC)CCNC(C1=CC=C(B(O)O)C=C1)=O
Synonyms	957034-76-3, Methyl 3-(4-boronobenzamido)propionate, (4-((3-Methoxy-3-oxopropyl)carbamoyl)phenyl)boronic acid, 4-[(3-Methoxy-3-oxopropyl)carbamoyl]benzeneboronic acid, Methyl 3-(4-boronobenzoylamino)propionate, ACMC-209s0f, SCHEMBL2557121, CTK5H7972, DTXSID50656879, ANW-40573, MFCD09475830, AKOS015833684, ZINC169808851, methyl 3-(4-boronobenzamido)propanoate, RTR-029850, Methyl N-(4-boronobenzoyl)-beta-alaninate, TR-029850, V9657, B-4243, I01-10607, 4-[(3-methoxy-3-oxopropyl)carbamoyl]phenylboronic acid, 4-[(3-Methoxy-3-oxopropyl)carbamoyl]benzeneboronic acid 97%, C11H14BNO5,

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.097g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	251.045g/mol
Monoisotopic Mass	251.097g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	95.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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