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206658-89-1 | Boronic acid, B-(3-aminophenyl)-, hydrate (1:1)
CAS No: 206658-89-1 Catalog No: AG002IKM MDL No:MFCD00149554
Product Description
Catalog Number:
AG002IKM
Chemical Name:
Boronic acid, B-(3-aminophenyl)-, hydrate (1:1)
CAS Number:
206658-89-1
Molecular Formula:
C6H10BNO3
Molecular Weight:
154.9595
MDL Number:
MFCD00149554
IUPAC Name:
(3-aminophenyl)boronic acid;hydrate
InChI:
InChI=1S/C6H8BNO2.H2O/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,9-10H,8H2;1H2
InChI Key:
XAEOVQODHLLNKX-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)B(O)O.O
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.075g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
154.96g/mol
Monoisotopic Mass:
155.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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