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5123-13-7 | 5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinane
CAS No: 5123-13-7 Catalog No: AG003BXK MDL No:MFCD05663851
Product Description
Catalog Number:
AG003BXK
Chemical Name:
5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinane
CAS Number:
5123-13-7
Molecular Formula:
C11H15BO2
Molecular Weight:
190.0466
MDL Number:
MFCD05663851
IUPAC Name:
5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane
InChI:
InChI=1S/C11H15BO2/c1-11(2)8-13-12(14-9-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChI Key:
FQMSNYZDFMWLGC-UHFFFAOYSA-N
SMILES:
CC1(C)COB(OC1)c1ccccc1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.117g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.049g/mol
Monoisotopic Mass:
190.117g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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