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Home > Boronic Acids > 90111-58-3
90111-58-3 | 4-CARBOXYMETHYL-PHENYLBORONIC ACID
CAS No: 90111-58-3 Catalog No: AG00GT0K MDL No:MFCD03425919
Product Description
Catalog Number:
AG00GT0K
Chemical Name:
4-CARBOXYMETHYL-PHENYLBORONIC ACID
CAS Number:
90111-58-3
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
MDL Number:
MFCD03425919
IUPAC Name:
2-(4-boronophenyl)acetic acid
InChI:
InChI=1S/C8H9BO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4,12-13H,5H2,(H,10,11)
InChI Key:
NFGJQVPDPIGBJE-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)B(O)O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.966g/mol
Monoisotopic Mass:
180.059g/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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