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Home > Boronic Acids > 850567-23-6
850567-23-6 | (3-(Cyclopropylcarbamoyl)phenyl)boronic acid
CAS No: 850567-23-6 Catalog No: AG004PCK MDL No:MFCD04115694
Product Description
Catalog Number:
AG004PCK
Chemical Name:
(3-(Cyclopropylcarbamoyl)phenyl)boronic acid
CAS Number:
850567-23-6
Molecular Formula:
C10H12BNO3
Molecular Weight:
205.0182
MDL Number:
MFCD04115694
IUPAC Name:
[3-(cyclopropylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H12BNO3/c13-10(12-9-4-5-9)7-2-1-3-8(6-7)11(14)15/h1-3,6,9,14-15H,4-5H2,(H,12,13)
InChI Key:
ACYLEYDBPWXTIO-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B(O)O)NC1CC1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.02g/mol
Monoisotopic Mass:
205.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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