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Home > Boronic Acids > 1072945-84-6
1072945-84-6 | 4-(CARBOXYMETHOXY)PHENYLBORONIC ACID
CAS No: 1072945-84-6 Catalog No: AG007WOP MDL No:MFCD03425920
Product Description
Catalog Number:
AG007WOP
Chemical Name:
4-(CARBOXYMETHOXY)PHENYLBORONIC ACID
CAS Number:
1072945-84-6
Molecular Formula:
C8H9BO5
Molecular Weight:
195.9651
MDL Number:
MFCD03425920
IUPAC Name:
2-(4-boronophenoxy)acetic acid
InChI:
InChI=1S/C8H9BO5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4,12-13H,5H2,(H,10,11)
InChI Key:
RJTGNLGIQQFSEI-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)B(O)O
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.965g/mol
Monoisotopic Mass:
196.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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