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507462-90-0 | 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CAS No: 507462-90-0 Catalog No: AG00D9PB MDL No:MFCD22414467
Product Description
Catalog Number:
AG00D9PB
Chemical Name:
3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CAS Number:
507462-90-0
Molecular Formula:
C14H21BO3
Molecular Weight:
248.1257
MDL Number:
MFCD22414467
IUPAC Name:
3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI:
InChI=1S/C14H21BO3/c1-9-7-11(16)8-10(2)12(9)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3
InChI Key:
ZCBINMYCBLXSBG-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1c(C)cc(cc1C)O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.129g/mol
Monoisotopic Mass:
248.158g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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