4-Ethynyl-2,5-dimethoxybenzaldehyde

CAT: 0127-OR1059332-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1059332-01Size:100 mg

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CAS Number

1208264-50-9

MDL Number

MFCD24686942

Purity

97%

Smiles

O=CC1=CC(OC)=C(C#C)C=C1OC

Chemical Information

4-Ethynyl-2,5-dimethoxybenzaldehyde

CAS Number	1208264-50-9
PubChem CID	91619852
IUPAC Name	4-ethynyl-2,5-dimethoxybenzaldehyde
Molecular Formula	C11H10O3
Molecular Weight	190.19
XLogP	1.6
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	240

SMILES

COC1=CC(=C(C=C1C=O)OC)C#C

InChI

InChI=1S/C11H10O3/c1-4-8-5-11(14-3)9(7-12)6-10(8)13-2/h1,5-7H,2-3H3

InChIKey

LCFPHQPYGQHNSY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1208264-50-9

CID: 91619852

Formula: C11H10O3

MW: 190.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.19
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	190.062994177
Monoisotopic Mass	190.062994177
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	240
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
OR1072554-01	4-Ethyl-2,5-dimethoxybenzaldehyde
OR1093973-01	2-ethyl-4,5-dimethoxybenzaldehyde
OR1064147-01	2-Iodo-4,5-dimethoxybenzaldehyde
OR1095632	5-iodo-2,4-dimethoxybenzaldehyde
PC1012100	5-Fluoro-2,4-dimethoxybenzaldehyde
OR76869-01	4-Chloro-2,5-dimethoxybenzaldehyde
OR27568-01	2-Bromo-4,5-dimethoxybenzaldehyde
OR52434	2-Chloro-4,5-dimethoxybenzaldehyde
OR1045284-01	5-Chloro-2,4-dimethoxybenzaldehyde
OR91864-01	4-Iodo-2,5-dimethoxybenzaldehyde

Catalog	Name
PAA38291	2-Hydroxy-4,5-dimethoxybenzaldehyde
sc-267305	4-Bromo-2,5-dimethoxybenzaldehyde
TAA09305	2-Chloro-4,5-dimethoxybenzaldehyde
MLB77134-01	5-Chloro-2,4-dimethoxybenzaldehyde
280371-01	2-Iodo-4,5-dimethoxybenzaldehyde
sc-225172	2-Benzyloxy-4,5-dimethoxybenzaldehyde
FGA83146-01	5-Fluoro-2,4-dimethoxybenzaldehyde
sc-226933	5-Bromo-2,4-dimethoxybenzaldehyde
TN9217-01	2,5-Dimethoxybenzaldehyde
270807-01	2,4-Dimethoxybenzaldehyde