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Home > Boronic Acids > 878289-40-8
878289-40-8 | Boronic acid, [2-(1-pyrrolidinylmethyl)phenyl]-
CAS No: 878289-40-8 Catalog No: AG004JNY MDL No:MFCD06801714
Product Description
Catalog Number:
AG004JNY
Chemical Name:
Boronic acid, [2-(1-pyrrolidinylmethyl)phenyl]-
CAS Number:
878289-40-8
Molecular Formula:
C11H16BNO2
Molecular Weight:
205.0612
MDL Number:
MFCD06801714
IUPAC Name:
[2-(pyrrolidin-1-ylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C11H16BNO2/c14-12(15)11-6-2-1-5-10(11)9-13-7-3-4-8-13/h1-2,5-6,14-15H,3-4,7-9H2
InChI Key:
PHKRRMUMVOCZGZ-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1CN1CCCC1)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.064g/mol
Monoisotopic Mass:
205.127g/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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