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Home > Boronic Acids > 871329-53-2
871329-53-2 | (5-(Methoxycarbonyl)pyridin-3-yl)boronic acid
CAS No: 871329-53-2 Catalog No: AG004OTD MDL No:MFCD07363742
Product Description
Catalog Number:
AG004OTD
Chemical Name:
(5-(Methoxycarbonyl)pyridin-3-yl)boronic acid
CAS Number:
871329-53-2
Molecular Formula:
C7H8BNO4
Molecular Weight:
180.9537
MDL Number:
MFCD07363742
IUPAC Name:
(5-methoxycarbonylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C7H8BNO4/c1-13-7(10)5-2-6(8(11)12)4-9-3-5/h2-4,11-12H,1H3
InChI Key:
PGTWAVVFCNTGCS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)B(O)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.954g/mol
Monoisotopic Mass:
181.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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