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Home > Boronic Acids > 1315276-35-7
1315276-35-7 | [3-(hydroxymethyl)-5-methoxyphenyl]boronic acid
CAS No: 1315276-35-7 Catalog No: AG00LK1Q MDL No:MFCD22397991
Product Description
Catalog Number:
AG00LK1Q
Chemical Name:
[3-(hydroxymethyl)-5-methoxyphenyl]boronic acid
CAS Number:
1315276-35-7
Molecular Formula:
C8H11BO4
Molecular Weight:
181.9815
MDL Number:
MFCD22397991
IUPAC Name:
[3-(hydroxymethyl)-5-methoxyphenyl]boronic acid
InChI:
InChI=1S/C8H11BO4/c1-13-8-3-6(5-10)2-7(4-8)9(11)12/h2-4,10-12H,5H2,1H3
InChI Key:
BKFKGPIRDFIJEV-UHFFFAOYSA-N
SMILES:
OCc1cc(OC)cc(c1)B(O)O
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.982g/mol
Monoisotopic Mass:
182.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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