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Home > Boronic Acids > 957034-76-3
957034-76-3 | Methyl 3-(4-boronobenzamido)propionate
CAS No: 957034-76-3 Catalog No: AG00IJD2 MDL No:MFCD09475830
Product Description
Catalog Number:
AG00IJD2
Chemical Name:
Methyl 3-(4-boronobenzamido)propionate
CAS Number:
957034-76-3
Molecular Formula:
C11H14BNO5
Molecular Weight:
251.0436
MDL Number:
MFCD09475830
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
SMILES:
COC(=O)CCNC(=O)c1ccc(cc1)B(O)O
Properties
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
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