2-Isopropoxybenzaldehyde

CAT: 0127-OR946443-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR946443-01Size:250 mg

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CAS Number

22921-58-0

MDL Number

MFCD01571834

Purity

98%

Smiles

CC(C)Oc1ccccc1C=O

Chemical Information

2-(Propan-2-yloxy)benzaldehyde

CAS Number	22921-58-0
PubChem CID	250078
IUPAC Name	2-propan-2-yloxybenzaldehyde
Molecular Formula	C10H12O2
Molecular Weight	164.20
XLogP	2.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	143

SMILES

CC(C)OC1=CC=CC=C1C=O

InChI

InChI=1S/C10H12O2/c1-8(2)12-10-6-4-3-5-9(10)7-11/h3-8H,1-2H3

InChIKey

ZZJVNPRHHLLANO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22921-58-0

CID: 250078

Formula: C10H12O2

MW: 164.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.20
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	164.083729621
Monoisotopic Mass	164.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	143
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
OR1080025-01	2-Chloro-6-isopropoxybenzaldehyde
OR71034-01	2-Bromo-3-isopropoxybenzaldehyde
OR1099045-01	2-bromo-6-isopropoxybenzaldehyde
OR1082082	2-Chloro-4-isopropoxybenzaldehyde
OR1082131-01	2-Ethyl-4-isopropoxybenzaldehyde
OR1082083-01	2-Bromo-4-isopropoxybenzaldehyde
OR1068719-01	2-Bromo-5-isopropoxybenzaldehyde
PC1025876	2-Fluoro-5-isopropoxybenzaldehyde
PC1010208	2-Fluro-6-isopropoxybenzaldehyde
PC1023313	2-Fluoro-3-isopropoxybenzaldehyde

Catalog	Name
sc-274908	2-Isopropoxybenzaldehyde
KZA79748-01	5-Fluoro-2-isopropoxybenzaldehyde
430802-01	4-Bromo-2-isopropoxybenzaldehyde
MGA14712	2-Bromo-5-isopropoxybenzaldehyde
sc-284594	5-chloro-2-isopropoxybenzaldehyde
sc-284548	5-bromo-2-isopropoxybenzaldehyde
SZB07092-01	2-Fluoro-4-isopropoxybenzaldehyde
sc-283776	3-isopropoxybenzaldehyde
FI09913-01	4-Isopropoxybenzaldehyde
SCB26755	2-Chloro-5-ethoxy-4-isopropoxybenzaldehyde