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Home > Boronic Acids > 1158984-92-9
1158984-92-9 | Boron, [N-[(carboxy-κO)methyl]-N-methylglycinato(2-)-κN,κO]-2-thienyl-, (T-4)-
CAS No: 1158984-92-9 Catalog No: AG000H20 MDL No:
Product Description
Catalog Number:
AG000H20
Chemical Name:
Boron, [N-[(carboxy-κO)methyl]-N-methylglycinato(2-)-κN,κO]-2-thienyl-, (T-4)-
CAS Number:
1158984-92-9
Molecular Formula:
C9H10BNO4S
Molecular Weight:
239.0560
IUPAC Name:
5-methyl-1-thiophen-2-yl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione
InChI:
InChI=1S/C9H10BNO4S/c1-11-5-8(12)14-10(11,15-9(13)6-11)7-3-2-4-16-7/h2-4H,5-6H2,1H3
InChI Key:
FQBHBVFIFLJVGV-UHFFFAOYSA-N
SMILES:
O=C1C[N+]2([B-](O1)(OC(=O)C2)c1cccs1)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.052g/mol
Monoisotopic Mass:
239.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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