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Home > Boronic Acids > 947533-27-9
947533-27-9 | 1-[1,3]-DIOXOLAN-2-YLMETHYL-1H-PYRAZOLE-4-BORONIC ACID
CAS No: 947533-27-9 Catalog No: AG005V9V MDL No:MFCD11042451
Product Description
Catalog Number:
AG005V9V
Chemical Name:
1-[1,3]-DIOXOLAN-2-YLMETHYL-1H-PYRAZOLE-4-BORONIC ACID
CAS Number:
947533-27-9
Molecular Formula:
C7H11BN2O4
Molecular Weight:
197.9842
MDL Number:
MFCD11042451
IUPAC Name:
[1-(1,3-dioxolan-2-ylmethyl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C7H11BN2O4/c11-8(12)6-3-9-10(4-6)5-7-13-1-2-14-7/h3-4,7,11-12H,1-2,5H2
InChI Key:
YUXDTEGCUQBDIX-UHFFFAOYSA-N
SMILES:
OB(c1cnn(c1)CC1OCCO1)O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.081g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.985g/mol
Monoisotopic Mass:
198.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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