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480424-55-3

480424-55-3 | (3-Formyl-2-methoxy-5-methylphenyl);boronic acid

CAS No: 480424-55-3 Catalog No: AG003JHW MDL No:MFCD08276750

Product Description

Catalog Number:
AG003JHW
Chemical Name:
(3-Formyl-2-methoxy-5-methylphenyl);boronic acid
CAS Number:
480424-55-3
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
MDL Number:
MFCD08276750
IUPAC Name:
(3-formyl-2-methoxy-5-methylphenyl)boronic acid
InChI:
InChI=1S/C9H11BO4/c1-6-3-7(5-11)9(14-2)8(4-6)10(12)13/h3-5,12-13H,1-2H3
InChI Key:
WDUHXJSEZPXEFU-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)cc(c1OC)B(O)O

Properties

Complexity:
197  
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:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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