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279262-11-2

279262-11-2 | 4-METHOXYMETHYLBENZENEBORONIC ACID

CAS No: 279262-11-2 Catalog No: AG00BDTA MDL No:MFCD03788426

Product Description

Catalog Number:
AG00BDTA
Chemical Name:
4-METHOXYMETHYLBENZENEBORONIC ACID
CAS Number:
279262-11-2
Molecular Formula:
C8H11BO3
Molecular Weight:
165.9821
MDL Number:
MFCD03788426
IUPAC Name:
[4-(methoxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H11BO3/c1-12-6-7-2-4-8(5-3-7)9(10)11/h2-5,10-11H,6H2,1H3
InChI Key:
VTNVZXAYRMTKON-UHFFFAOYSA-N
SMILES:
COCc1ccc(cc1)B(O)O

Properties

Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.08g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
165.983g/mol
Monoisotopic Mass:
166.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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