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1146614-39-2 | Boronic acid, B-[3-[(methylamino)methyl]phenyl]-
CAS No: 1146614-39-2 Catalog No: AG000EYH MDL No:MFCD18453453
Product Description
Catalog Number:
AG000EYH
Chemical Name:
Boronic acid, B-[3-[(methylamino)methyl]phenyl]-
CAS Number:
1146614-39-2
Molecular Formula:
C8H12BNO2
Molecular Weight:
164.9974
MDL Number:
MFCD18453453
IUPAC Name:
[3-(methylaminomethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H12BNO2/c1-10-6-7-3-2-4-8(5-7)9(11)12/h2-5,10-12H,6H2,1H3
InChI Key:
XHGVRVGSIBKWNH-UHFFFAOYSA-N
SMILES:
CNCc1cccc(c1)B(O)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.096g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
164.999g/mol
Monoisotopic Mass:
165.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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