Home Boronic acids (2-Ethyl-4-Methoxyphenyl)boronic acid

(2-Ethyl-4-Methoxyphenyl)boronic acid

CAS No.:
342899-07-4
Catalog Number:
AG00CLLK
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
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Product Description
Catalog Number:
AG00CLLK
Chemical Name:
(2-Ethyl-4-Methoxyphenyl)boronic acid
CAS Number:
342899-07-4
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD22414595
IUPAC Name:
(2-ethyl-4-methoxyphenyl)boronic acid
InChI:
InChI=1S/C9H13BO3/c1-3-7-6-8(13-2)4-5-9(7)10(11)12/h4-6,11-12H,3H2,1-2H3
InChI Key:
JHTURCRYQLGBFW-UHFFFAOYSA-N
SMILES:
CCc1cc(OC)ccc1B(O)O
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.096g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.01g/mol
Monoisotopic Mass:
180.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties