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Home > Boronic Acids > 643093-74-7
643093-74-7 | 2,3-DIMETHYL-4-FORMYLPHENYLBORONIC ACID
CAS No: 643093-74-7 Catalog No: AG00EKXP MDL No:MFCD11617250
Product Description
Catalog Number:
AG00EKXP
Chemical Name:
2,3-DIMETHYL-4-FORMYLPHENYLBORONIC ACID
CAS Number:
643093-74-7
Molecular Formula:
C9H11BO3
Molecular Weight:
177.9928
MDL Number:
MFCD11617250
IUPAC Name:
(4-formyl-2,3-dimethylphenyl)boronic acid
InChI:
InChI=1S/C9H11BO3/c1-6-7(2)9(10(12)13)4-3-8(6)5-11/h3-5,12-13H,1-2H3
InChI Key:
VWKSRDYVNJKHOI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1C)C)B(O)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.994g/mol
Monoisotopic Mass:
178.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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