Chroman-2-carbaldehyde

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CAS Number

169747-89-1

MDL Number

MFCD20526805

Purity

=95%

Smiles

O=CC1CCc2ccccc2O1

Chemical Information

Chroman-2-carbaldehyde

CAS Number	169747-89-1
PubChem CID	20627851
IUPAC Name	3,4-dihydro-2H-chromene-2-carbaldehyde
Molecular Formula	C10H10O2
Molecular Weight	162.18
XLogP	1.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

C1CC2=CC=CC=C2OC1C=O

InChI

InChI=1S/C10H10O2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,7,9H,5-6H2

InChIKey

PUMRUSBKNSBTAL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 169747-89-1

CID: 20627851

Formula: C10H10O2

MW: 162.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.18
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	162.068079557
Monoisotopic Mass	162.068079557
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR300271-01	Chroman-7-carbaldehyde
OR45040	Chroman-6-carboxaldehyde
OR18107	2- (Bromomethyl) chroman
OR84910-01	Chroman-2-ylmethanamine
OR14501-01	2- (Hydroxymethyl) chroman
OR55169	Chroman-2-carbonitrile
OR96479-01	Chroman-2-ylmethanamine hydrochloride
OR55170-01	Chroman-2-carboxylic acid
OR84026-01	Chromane-8-carbaldehyde
OR908213-01	Methyl chroman-2-carboxylic acid

Catalog	Name
FCA74597-01	Chroman-6-carbaldehyde
UMB90395-01	Chroman-3-carbaldehyde
266276-01	2-Bromomethyl-chroman
DAA99059	Chroman-2-ylmethanamine
IDA27886	2- (Hydroxymethyl) chroman
GTR19232034	(2R,3S) -2- (3,4-Dihydroxyphenyl) -3,5,7-trihydroxy-chroman-6-carbaldehyde
HY-15392-01	Chroman 1
422211-01	(2S) -Chroman-2-carboxylic Acid
455877-01	Methyl chroman-2-carboxylic acid
230060-01	2-Bromomethyl-chroman ≥95% (HPLC)