CAS 122775-35-3 | Boronic acid, B-(3,4-dimethoxyphenyl)- | CAS Number 122775-35-3

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122775-35-3 | Boronic acid, B-(3,4-dimethoxyphenyl)-

CAS No: 122775-35-3 Catalog No: AG000JH2 MDL No:MFCD01074574

Product Description

Catalog Number:

AG000JH2

Chemical Name:

Boronic acid, B-(3,4-dimethoxyphenyl)-

CAS Number:

122775-35-3

Molecular Formula:

C8H11BO4

Molecular Weight:

181.9815

MDL Number:

MFCD01074574

IUPAC Name:

(3,4-dimethoxyphenyl)boronic acid

InChI:

InChI=1S/C8H11BO4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5,10-11H,1-2H3

InChI Key:

RCVDPBFUMYUKPB-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1OC)B(O)O

Properties

Complexity:

153

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.982g/mol

Monoisotopic Mass:

182.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
3,4-Dimeth-oxy-4'-nitro-1,1'-biphen-yl.	Acta crystallographica. Section E, Structure reports online 20120501
3',4'-Dimeth-oxy-biphenyl-4-carbonitrile.	Acta crystallographica. Section E, Structure reports online 20120401
3,3'',4,4''-Tetra-meth-oxy-1,1':4',1''-terphen-yl.	Acta crystallographica. Section E, Structure reports online 20110801