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352535-90-1

352535-90-1 | 4-PROPIONOXYPHENYLBORONIC ACID

CAS No: 352535-90-1 Catalog No: AG00D55Y MDL No:

Product Description

Catalog Number:
AG00D55Y
Chemical Name:
4-PROPIONOXYPHENYLBORONIC ACID
CAS Number:
352535-90-1
IUPAC Name:
(4-propanoyloxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BO4/c1-2-9(11)14-8-5-3-7(4-6-8)10(12)13/h3-6,12-13H,2H2,1H3
InChI Key:
MOTUHOYUGXTMLX-UHFFFAOYSA-N

Properties

Complexity:
187  
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

Literature

Title Journal
[2,2'-Imino-diethano-lato(2-)-κO,N,O'][4-(meth-oxy-carbonyl-meth-yl)phen-yl]boron. Acta crystallographica. Section E, Structure reports online 20101001

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