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Home > Boronic Acids > 928160-90-1
928160-90-1 | 6-(1,4-DIOXA-8-AZASPIRO[4.5]DEC-8-YL)-3-PYRIDINYL BORONIC ACID
CAS No: 928160-90-1 Catalog No: AG00GYEN MDL No:MFCD09952036
Product Description
Catalog Number:
AG00GYEN
Chemical Name:
6-(1,4-DIOXA-8-AZASPIRO[4.5]DEC-8-YL)-3-PYRIDINYL BORONIC ACID
CAS Number:
928160-90-1
Molecular Formula:
C12H17BN2O4
Molecular Weight:
264.0854
MDL Number:
MFCD09952036
IUPAC Name:
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C12H17BN2O4/c16-13(17)10-1-2-11(14-9-10)15-5-3-12(4-6-15)18-7-8-19-12/h1-2,9,16-17H,3-8H2
InChI Key:
HZXCCOZZCLLKTG-UHFFFAOYSA-N
SMILES:
OB(c1ccc(nc1)N1CCC2(CC1)OCCO2)O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.128g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.088g/mol
Monoisotopic Mass:
264.128g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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