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480424-85-9

480424-85-9 | 3-PROPIONOXYPHENYLBORONIC ACID

CAS No: 480424-85-9 Catalog No: AG006Y4H MDL No:

Product Description

Catalog Number:
AG006Y4H
Chemical Name:
3-PROPIONOXYPHENYLBORONIC ACID
CAS Number:
480424-85-9
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
IUPAC Name:
(3-propanoyloxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BO4/c1-2-9(11)14-8-5-3-4-7(6-8)10(12)13/h3-6,12-13H,2H2,1H3
InChI Key:
HFTSZRNVEIDPTE-UHFFFAOYSA-N
SMILES:
CCC(=O)Oc1cccc(c1)B(O)O

Properties

Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.993g/mol
Monoisotopic Mass:
194.075g/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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