3,5-Dimethyl-2-hydroxybenzaldehyde

CAT: 0127-OR400471-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR400471-01Size:100 mg

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CAS Number

24623-61-8

MDL Number

MFCD05625710

Purity

95%

Smiles

Cc1cc(C)c(O)c(C=O)c1

Chemical Information

2-Hydroxy-3,5-dimethylbenzaldehyde

CAS Number	24623-61-8
PubChem CID	4770245
IUPAC Name	2-hydroxy-3,5-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=CC(=C(C(=C1)C=O)O)C

InChI

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

InChIKey

DSXKMMAQDSAZAC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24623-61-8

CID: 4770245

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
OR21230-01	3,5-Dimethyl-4-hydroxybenzaldehyde
OR46065-01	3,6-Dimethyl-2-hydroxybenzaldehyde
OR9955-01	3-Chloro-2,4-dimethyl-6-hydroxybenzaldehyde
OR12903-01	2,6-Dimethyl-4-hydroxybenzaldehyde
PC1112-01	3,5-Difluoro-2-hydroxybenzaldehyde
OR8810-01	3,5-Diiodo-2-hydroxybenzaldehyde
PC100675	2,3-Difluoro-5-hydroxybenzaldehyde
OR0351-01	3,5-Dichloro-2-hydroxybenzaldehyde
OR21193-01	3,5-dibromo-2-hydroxybenzaldehyde
PC1013083-01	3-bromo-2-fluoro-5-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
TRC-D434925-250MG	2,3-Dichloro-5-hydroxybenzaldehyde
23486590	3,5-Dibromo-2-hydroxybenzaldehyde
VAA03544	5-Bromo-3-ethoxy-2-hydroxybenzaldehyde
D31455-01	3,5-Diiodo-2-hydroxybenzaldehyde 95%
FB70582-01	3-Bromo-5-chloro-2-hydroxybenzaldehyde
UAA65233-01	5-Bromo-3-chloro-2-hydroxybenzaldehyde
C5340-01	3-Chloro-5-fluoro-2-hydroxybenzaldehyde