3,5-Dimethyl-4-hydroxybenzaldehyde

CAT: 0127-OR21230-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR21230-01Size:100 g

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CAS Number

2233-18-3

MDL Number

MFCD00006946

Purity

=95%

Smiles

Cc1cc(C=O)cc(C)c1O

Chemical Information

3,5-Dimethyl-4-hydroxybenzaldehyde

do not confuse with 2,2-dimethyl-3-hydroxybutyric acid, also known as DMHB

CAS Number	2233-18-3
PubChem CID	75222
IUPAC Name	4-hydroxy-3,5-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(=C1O)C)C=O

InChI

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

InChIKey

UYGBSRJODQHNLQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2233-18-3

CID: 75222

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
OR400471-01	3,5-Dimethyl-2-hydroxybenzaldehyde
OR12903-01	2,6-Dimethyl-4-hydroxybenzaldehyde
OR9955-01	3-Chloro-2,4-dimethyl-6-hydroxybenzaldehyde
PC8951-01	3,5-Difluoro-4-hydroxybenzaldehyde
OR8809-01	3,5-Diiodo-4-hydroxybenzaldehyde
PC201362-01	3,4-Difluoro-5-hydroxybenzaldehyde
OR27469-01	3,5-Dichloro-4-hydroxybenzaldehyde
OR59937	3,4-Dimethoxy-5-hydroxybenzaldehyde
OR27455-01	3,5-dibromo-4-hydroxybenzaldehyde
OR919394-01	3,5-Diethyl-4-hydroxybenzaldehyde

Catalog	Name
abx181872-01	3,5-Dimethyl-4-hydroxybenzaldehyde
232329-01	3,5-Dimethyl-4-hydroxybenzaldehyde 99+% (GC)
sc-352266	2,6-Dimethyl-4-hydroxybenzaldehyde
FD71041-01	3,4-Dimethoxy-5-hydroxybenzaldehyde
FD22129-01	3,5-Diiodo-4-hydroxybenzaldehyde
RG-A262555-01	3,5-Dichloro-4-Hydroxybenzaldehyde
abx184570-01	3,5-Dimethoxy-4-hydroxybenzaldehyde
379126	3,5-Diprenyl-4-hydroxybenzaldehyde
427379-01	3,5-Difluoro-4-hydroxybenzaldehyde
273497-01	3,5-Dibromo-4-hydroxybenzaldehyde