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Home > Boronic Acids > 947163-27-1
947163-27-1 | 2-(Hydroxymethyl)-6-methoxyphenylboronic acid dehydrate
CAS No: 947163-27-1 Catalog No: AG00IIGR MDL No:MFCD16036102
Product Description
Catalog Number:
AG00IIGR
Chemical Name:
2-(Hydroxymethyl)-6-methoxyphenylboronic acid dehydrate
CAS Number:
947163-27-1
Molecular Formula:
C8H9BO3
Molecular Weight:
163.9663
MDL Number:
MFCD16036102
IUPAC Name:
1-hydroxy-7-methoxy-3H-2,1-benzoxaborole
InChI:
InChI=1S/C8H9BO3/c1-11-7-4-2-3-6-5-12-9(10)8(6)7/h2-4,10H,5H2,1H3
InChI Key:
LFQIKTZNNCJYPX-UHFFFAOYSA-N
SMILES:
COc1cccc2c1B(O)OC2
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.967g/mol
Monoisotopic Mass:
164.064g/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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