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819849-22-4 | 3-((Dimethylamino);methyl);phenylboronic acid
CAS No: 819849-22-4 Catalog No: AG008L0Z MDL No:MFCD20731144
Product Description
Catalog Number:
AG008L0Z
Chemical Name:
3-((Dimethylamino);methyl);phenylboronic acid
CAS Number:
819849-22-4
Molecular Formula:
C9H14BNO2
Molecular Weight:
179.0240
MDL Number:
MFCD20731144
IUPAC Name:
[3-[(dimethylamino)methyl]phenyl]boronic acid
InChI:
InChI=1S/C9H14BNO2/c1-11(2)7-8-4-3-5-9(6-8)10(12)13/h3-6,12-13H,7H2,1-2H3
InChI Key:
OFYQEYPITRRCBP-UHFFFAOYSA-N
SMILES:
CN(Cc1cccc(c1)B(O)O)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.112g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.026g/mol
Monoisotopic Mass:
179.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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