CAS 95306-75-5 | 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo- | CAS Number 95306-75-5

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95306-75-5 | 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-

CAS No: 95306-75-5 Catalog No: AG0065L2 MDL No:

Product Description

Catalog Number:

AG0065L2

Chemical Name:

2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-

CAS Number:

95306-75-5

Molecular Formula:

C10H6O3

Molecular Weight:

174.1528

IUPAC Name:

2-oxochromene-3-carbaldehyde

InChI:

InChI=1S/C10H6O3/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-6H

InChI Key:

GHULSNJKMRDUGY-UHFFFAOYSA-N

SMILES:

O=Cc1cc2ccccc2oc1=O

Properties

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

174.032g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

174.155g/mol

Monoisotopic Mass:

174.032g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
An overview of conventional and emerging analytical methods for the determination of mycotoxins.	International journal of molecular sciences 20090101
Fluorescent labeling of peptides on solid phase.	Organic & biomolecular chemistry 20081221
A new protocol for the consecutive alpha- and beta-activation of propiolates towards electrophiles, involving conjugate addition of tertiary amines and intramolecular silyl migration.	Chemistry (Weinheim an der Bergstrasse, Germany) 20050905
Critical study of and improvements in chromatographic methods for the analysis of type B trichothecenes.	Journal of chromatography. A 20010518