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209347-66-0 | Boronic acid, [3-[(3,7-dimethyloctyl)oxy]phenyl]- (9CI)
CAS No: 209347-66-0 Catalog No: AG002K6S MDL No:
Product Description
Catalog Number:
AG002K6S
Chemical Name:
Boronic acid, [3-[(3,7-dimethyloctyl)oxy]phenyl]- (9CI)
CAS Number:
209347-66-0
Molecular Formula:
C16H27BO3
Molecular Weight:
278.1948
IUPAC Name:
[3-(3,7-dimethyloctoxy)phenyl]boronic acid
InChI:
InChI=1S/C16H27BO3/c1-13(2)6-4-7-14(3)10-11-20-16-9-5-8-15(12-16)17(18)19/h5,8-9,12-14,18-19H,4,6-7,10-11H2,1-3H3
InChI Key:
XCGZTXOKLYKMJC-UHFFFAOYSA-N
SMILES:
CC(CCOc1cccc(c1)B(O)O)CCCC(C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.205g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.199g/mol
Monoisotopic Mass:
278.205g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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