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Home > Boronic Acids > 1218790-94-3
1218790-94-3 | Boronic acid, B-(3-ethyl-4-formylphenyl)-
CAS No: 1218790-94-3 Catalog No: AG00169Z MDL No:MFCD11617251
Product Description
Catalog Number:
AG00169Z
Chemical Name:
Boronic acid, B-(3-ethyl-4-formylphenyl)-
CAS Number:
1218790-94-3
Molecular Formula:
C9H11BO3
Molecular Weight:
177.9928
MDL Number:
MFCD11617251
IUPAC Name:
(3-ethyl-4-formylphenyl)boronic acid
InChI:
InChI=1S/C9H11BO3/c1-2-7-5-9(10(12)13)4-3-8(7)6-11/h3-6,12-13H,2H2,1H3
InChI Key:
CUHGCQVNNDUJCQ-UHFFFAOYSA-N
SMILES:
CCc1cc(ccc1C=O)B(O)O
Properties
Complexity:
172
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:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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