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Home > Boronic Acids > 374105-86-9
374105-86-9 | 3-(2-Boronophenyl)acrylic acid
CAS No: 374105-86-9 Catalog No: AG003ER5 MDL No:
Product Description
Catalog Number:
AG003ER5
Chemical Name:
3-(2-Boronophenyl)acrylic acid
CAS Number:
374105-86-9
Molecular Formula:
C9H9BO4
Molecular Weight:
191.9764
IUPAC Name:
(E)-3-(2-boronophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H9BO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6,13-14H,(H,11,12)/b6-5+
InChI Key:
OPFDGNUJQALQFL-AATRIKPKSA-N
SMILES:
OC(=O)/C=C/c1ccccc1B(O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
192.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.977g/mol
Monoisotopic Mass:
192.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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