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Home > Boronic Acids > 913835-82-2
913835-82-2 | 3-(2-ETHOXYCARBONYLETHYL)BENZENEBORONIC ACID 97
CAS No: 913835-82-2 Catalog No: AG00GRYD MDL No:MFCD08689511
Product Description
Catalog Number:
AG00GRYD
Chemical Name:
3-(2-ETHOXYCARBONYLETHYL)BENZENEBORONIC ACID 97
CAS Number:
913835-82-2
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
MDL Number:
MFCD08689511
IUPAC Name:
[3-(3-ethoxy-3-oxopropyl)phenyl]boronic acid
InChI:
InChI=1S/C11H15BO4/c1-2-16-11(13)7-6-9-4-3-5-10(8-9)12(14)15/h3-5,8,14-15H,2,6-7H2,1H3
InChI Key:
RTJGTDXOUMFFRS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1cccc(c1)B(O)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.047g/mol
Monoisotopic Mass:
222.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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