2,6-Dimethyl-4-hydroxybenzaldehyde

CAT: 0127-OR12903-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR12903-01Size:1 g

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CAS Number

70547-87-4

Synonyms

3,5-Dimethyl-4-formylphenol, 2-Formyl-5-hydroxy-m-xylene

MDL Number

MFCD00016979

Purity

99%

Smiles

Cc1cc(O)cc(C)c1C=O

Chemical Information

2,6-Dimethyl-4-hydroxybenzaldehyde

CAS Number	70547-87-4
PubChem CID	591072
IUPAC Name	4-hydroxy-2,6-dimethylbenzaldehyde
Molecular Formula	C9H10O2
Molecular Weight	150.17
XLogP	0.8
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	132

SMILES

CC1=CC(=CC(=C1C=O)C)O

InChI

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

InChIKey

XXTRGLCPRZQPHJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 70547-87-4

CID: 591072

Formula: C9H10O2

MW: 150.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.17
XLogP3	0.8
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	132
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
OR9955-01	3-Chloro-2,4-dimethyl-6-hydroxybenzaldehyde
OR46065-01	3,6-Dimethyl-2-hydroxybenzaldehyde
PC3686-01	2,4-Difluoro-6-hydroxybenzaldehyde
PC9940-01	2,6-Difluoro-4-hydroxybenzaldehyde
OR10496-01	4,6-Dimethoxy-2-hydroxybenzaldehyde
OR59913-01	2,6-Dichloro-4-hydroxybenzaldehyde
OR10495-01	2,6-Dimethoxy-4-hydroxybenzaldehyde
OR21230-01	3,5-Dimethyl-4-hydroxybenzaldehyde
OR400471-01	3,5-Dimethyl-2-hydroxybenzaldehyde
OR1100584-01	4-Bromo-2-chloro-6-hydroxybenzaldehyde

Catalog	Name
sc-352266	2,6-Dimethyl-4-hydroxybenzaldehyde
FD71773-01	2,4-Dichloro-6-hydroxybenzaldehyde
FD69855	2,6-Dichloro-4-hydroxybenzaldehyde
420847-01	2,6-Difluoro-4-hydroxybenzaldehyde
sc-225782	2,6-Dimethoxy-4-hydroxybenzaldehyde
abx181872-01	3,5-Dimethyl-4-hydroxybenzaldehyde
420030-01	2,4-Bis (benzoyloxy) -6-hydroxybenzaldehyde
RG-A262324-01	2,4,6-Tribromo-3-Hydroxybenzaldehyde
D34553-01	4,6-Dimethoxy-2-hydroxybenzaldehyde 98%
B410885	2,4-Bis(benzoyloxy)-6-hydroxybenzaldehyde