CAS 3943-91-7 | Ethyl 2,5-dihydroxybenzoate | CAS Number 3943-91-7

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3943-91-7 | Ethyl 2,5-dihydroxybenzoate

CAS No: 3943-91-7 Catalog No: AG003Q2J MDL No:

Product Description

Catalog Number:

AG003Q2J

Chemical Name:

Ethyl 2,5-dihydroxybenzoate

CAS Number:

3943-91-7

Molecular Formula:

C9H10O4

Molecular Weight:

182.1733

IUPAC Name:

ethyl 2,5-dihydroxybenzoate

InChI:

InChI=1S/C9H10O4/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5,10-11H,2H2,1H3

InChI Key:

GCUPAENRSCPHBM-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cc(O)ccc1O

EC Number:

223-530-6

Properties

Complexity:

181

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.175g/mol

Monoisotopic Mass:

182.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Derivatization of the azole 1-aminobenzotriazole using laccase of Pycnoporus cinnabarinus and Myceliophthora thermophila: influence of methanol on the reaction and biological evaluation of the derivatives.	Biotechnology and applied biochemistry 20100527