2-Hydroxy-3,6-dimethylbenzaldehyde

CAT: 0024-sc-484390Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-484390Size:1 g

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CAS Number

1666-04-2

Chemical Information

3,6-Dimethylsalicylaldehyde

CAS Number	1666-04-2
PubChem CID	819297
IUPAC Name	2-hydroxy-3,6-dimethylbenzaldehyde
Molecular Formula	C9H10O2
Molecular Weight	150.17
XLogP	2.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	144

SMILES

CC1=C(C(=C(C=C1)C)O)C=O

InChI

InChI=1S/C9H10O2/c1-6-3-4-7(2)9(11)8(6)5-10/h3-5,11H,1-2H3

InChIKey

WTHUWXPBPNTSHJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1666-04-2

CID: 819297

Formula: C9H10O2

MW: 150.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.17
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	150.068079557
Monoisotopic Mass	150.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	144
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
sc-225791	2,6-Dimethylbenzaldehyde
sc-226674	4-Hydroxy-3,5-dimethylbenzaldehyde
sc-209309	2,3-Dimethylbenzaldehyde
sc-482176	4-Bromo-2,6-dimethylbenzaldehyde
sc-316286	4-Ethoxy-2,6-dimethylbenzaldehyde
sc-470055	2-Methoxy-3,5-dimethylbenzaldehyde
sc-232131	3,5-Dimethylbenzaldehyde
sc-231125	2,5-Dimethylbenzaldehyde
sc-232023	3,4-Dimethylbenzaldehyde
sc-225688	2,4-Dimethylbenzaldehyde

Catalog	Name
418236-01	2-Hydroxy-3,6-dimethylbenzaldehyde
OR1097239	3-hydroxy-2,6-dimethylbenzaldehyde
OR1029406-01	2-Hydroxy-4,6-dimethylbenzaldehyde
OR1073365-01	4-Bromo-2-hydroxy-3,6-dimethylbenzaldehyde
OR1080731	3-Bromo-6-hydroxy-2,4-dimethylbenzaldehyde
OR1042307-01	4-Hydroxy-2,3-dimethylbenzaldehyde
RG-A262435-01	4- (Tert-Butyl) -3-Hydroxy-2,6-Dimethylbenzaldehyde
FH66536-01	2-Hydroxy-4,6-dimethoxy-3,5-dimethylbenzaldehyde
420926-01	2,6-Dimethylbenzaldehyde
OR1096394-01	3-Bromo-2,6-dimethylbenzaldehyde