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Home > Boronic Acids > 1072952-28-3

1072952-28-3

1072952-28-3 | (5-Formyl-3-methylthiophen-2-yl)boronic acid

CAS No: 1072952-28-3 Catalog No: AG003BY3 MDL No:MFCD06657888

Product Description

Catalog Number:
AG003BY3
Chemical Name:
(5-Formyl-3-methylthiophen-2-yl)boronic acid
CAS Number:
1072952-28-3
Molecular Formula:
C6H7BO3S
Molecular Weight:
169.9940
MDL Number:
MFCD06657888
IUPAC Name:
(5-formyl-3-methylthiophen-2-yl)boronic acid
InChI:
InChI=1S/C6H7BO3S/c1-4-2-5(3-8)11-6(4)7(9)10/h2-3,9-10H,1H3
InChI Key:
LGUPYAAIBNFFDA-UHFFFAOYSA-N
SMILES:
O=Cc1cc(c(s1)B(O)O)C

Properties

Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.021g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
169.989g/mol
Monoisotopic Mass:
170.021g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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