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Home > Boronic Acids > 40218-49-3
40218-49-3 | 2-Propylbenzo[d][1,3,2]dioxaborole
CAS No: 40218-49-3 Catalog No: AG003HWM MDL No:MFCD00799577
Product Description
Catalog Number:
AG003HWM
Chemical Name:
2-Propylbenzo[d][1,3,2]dioxaborole
CAS Number:
40218-49-3
Molecular Formula:
C9H11BO2
Molecular Weight:
161.9934
MDL Number:
MFCD00799577
IUPAC Name:
2-propyl-1,3,2-benzodioxaborole
InChI:
InChI=1S/C9H11BO2/c1-2-7-10-11-8-5-3-4-6-9(8)12-10/h3-6H,2,7H2,1H3
InChI Key:
VIKLNEIFCBHZLL-UHFFFAOYSA-N
SMILES:
CCCB1Oc2c(O1)cccc2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.995g/mol
Monoisotopic Mass:
162.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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