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Home > Boronic Acids > 222840-95-1
222840-95-1 | 3-Allyloxyphenylboronic acid
CAS No: 222840-95-1 Catalog No: AG00BIF0 MDL No:MFCD11103733
Product Description
Catalog Number:
AG00BIF0
Chemical Name:
3-Allyloxyphenylboronic acid
CAS Number:
222840-95-1
Molecular Formula:
C9H11BO3
Molecular Weight:
177.9928
MDL Number:
MFCD11103733
IUPAC Name:
(3-prop-2-enoxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BO3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h2-5,7,11-12H,1,6H2
InChI Key:
YUJCSDZSQSVVBO-UHFFFAOYSA-N
SMILES:
C=CCOc1cccc(c1)B(O)O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.994g/mol
Monoisotopic Mass:
178.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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