CAS 2150-44-9 | Methyl 3,5-dihydroxybenzoate | CAS Number 2150-44-9

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2150-44-9 | Methyl 3,5-dihydroxybenzoate

CAS No: 2150-44-9 Catalog No: AG003RQH MDL No:MFCD00002289

Product Description

Catalog Number:

AG003RQH

Chemical Name:

Methyl 3,5-dihydroxybenzoate

CAS Number:

2150-44-9

Molecular Formula:

C8H8O4

Molecular Weight:

168.1467

MDL Number:

MFCD00002289

IUPAC Name:

methyl 3,5-dihydroxybenzoate

InChI:

InChI=1S/C8H8O4/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,9-10H,1H3

InChI Key:

RNVFYQUEEMZKLR-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(O)cc(c1)O

EC Number:

218-426-2

UNII:

41U1BRD8AX

NSC Number:

61082

Properties

Complexity:

158

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.148g/mol

Monoisotopic Mass:

168.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
4,4'-[(5-Carb-oxy-1,3-phenyl-ene)bis-(-oxy)]dibenzoic acid.	Acta crystallographica. Section E, Structure reports online 20120401
Lamellar organic thin films through self-assembly and molecular recognition.	The Journal of organic chemistry 20010126