CAS 2349-70-4 | 1,4-Benzenediol, 2-ethyl- | CAS Number 2349-70-4

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2349-70-4 | 1,4-Benzenediol, 2-ethyl-

CAS No: 2349-70-4 Catalog No: AG002NE6 MDL No:MFCD00017398

Product Description

Catalog Number:

AG002NE6

Chemical Name:

1,4-Benzenediol, 2-ethyl-

CAS Number:

2349-70-4

Molecular Formula:

C8H10O2

Molecular Weight:

138.1638

MDL Number:

MFCD00017398

IUPAC Name:

2-ethylbenzene-1,4-diol

InChI:

InChI=1S/C8H10O2/c1-2-6-5-7(9)3-4-8(6)10/h3-5,9-10H,2H2,1H3

InChI Key:

VJIDDJAKLVOBSE-UHFFFAOYSA-N

SMILES:

CCc1cc(O)ccc1O

UNII:

8ZS26BG0QO

Properties

Complexity:

103

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

138.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

138.166g/mol

Monoisotopic Mass:

138.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Differences in defensive volatiles of the forked fungus beetle, Bolitotherus cornutus, living on two species of fungus.	Journal of chemical ecology 20091101
Mechanism of ethylbenzene-induced mouse-specific lung tumor: metabolism of ethylbenzene by rat, mouse, and human liver and lung microsomes.	Toxicological sciences : an official journal of the Society of Toxicology 20090201
Metabolic activation of carcinogenic ethylbenzene leads to oxidative DNA damage.	Chemico-biological interactions 20041207