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Home > Boronic Acids > 238088-31-8
238088-31-8 | 2-Cyanoethylboronic acid, pinacol ester
CAS No: 238088-31-8 Catalog No: AG00BD6X MDL No:MFCD19105547
Product Description
Catalog Number:
AG00BD6X
Chemical Name:
2-Cyanoethylboronic acid, pinacol ester
CAS Number:
238088-31-8
Molecular Formula:
C9H16BNO2
Molecular Weight:
181.0398
MDL Number:
MFCD19105547
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanenitrile
InChI:
InChI=1S/C9H16BNO2/c1-8(2)9(3,4)13-10(12-8)6-5-7-11/h5-6H2,1-4H3
InChI Key:
YCRBWRBCSUVPIG-UHFFFAOYSA-N
SMILES:
N#CCCB1OC(C(O1)(C)C)(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.127g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.042g/mol
Monoisotopic Mass:
181.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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