Chromone-3-carboxaldehyde

CAT: 0127-OR1305-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1305-01Size:5 g

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CAS Number

17422-74-1

MDL Number

MFCD00014667

Purity

98%

Smiles

O=CC1=COc2ccccc2C1=O

Chemical Information

3-Formylchromone

CAS Number	17422-74-1
PubChem CID	87112
IUPAC Name	4-oxochromene-3-carbaldehyde
Molecular Formula	C10H6O3
Molecular Weight	174.15
XLogP	1.2
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	267

SMILES

C1=CC=C2C(=C1)C(=O)C(=CO2)C=O

InChI

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

InChIKey

FSMYWBQIMDSGQP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17422-74-1

CID: 87112

Formula: C10H6O3

MW: 174.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.15
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	174.031694049
Monoisotopic Mass	174.031694049
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	267
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1306-01	Chromone-3-carbonitrile
OR23379-01	2H-chromene-3-carboxaldehyde
OR22414-01	Chromone
OR1307-01	Chromone-3-carboxylic acid
OR5054-01	Thiophene-3-carboxaldehyde
OR45040	Chroman-6-carboxaldehyde
BUP16492-01	Indole-3-carboxaldehyde
OR40275	Isoquinoline-3-carboxaldehyde
OR12576-01	Biphenyl-3-carboxaldehyde
OR346443-01	Benzofuran-3-carboxaldehyde