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Home > Boronic Acids > 1379462-82-4
1379462-82-4 | 2-Propenoic acid, 3-borono-, 1-ethyl ester
CAS No: 1379462-82-4 Catalog No: AG0017PJ MDL No:
Product Description
Catalog Number:
AG0017PJ
Chemical Name:
2-Propenoic acid, 3-borono-, 1-ethyl ester
CAS Number:
1379462-82-4
Molecular Formula:
C5H9BO4
Molecular Weight:
143.9336
IUPAC Name:
[(E)-3-ethoxy-3-oxoprop-1-enyl]boronic acid
InChI:
InChI=1S/C5H9BO4/c1-2-10-5(7)3-4-6(8)9/h3-4,8-9H,2H2,1H3/b4-3+
InChI Key:
ZEFYTFQUBRZHRZ-ONEGZZNKSA-N
SMILES:
CCOC(=O)C=CB(O)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
144.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
143.933g/mol
Monoisotopic Mass:
144.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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