2-Hydroxy-3-cyclopropylbenzaldehyde

CAT: 0127-OR54661-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR54661-01Size:250 mg

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CAS Number

1206776-33-1

MDL Number

MFCD31726535

Purity

=95%

Smiles

Oc1c(C=O)cccc1C2CC2

Storage Conditions

Store at 2-8°C

Chemical Information

3-Cyclopropyl-2-hydroxybenzaldehyde

CAS Number	1206776-33-1
PubChem CID	139027016
IUPAC Name	3-cyclopropyl-2-hydroxybenzaldehyde
Molecular Formula	C10H10O2
Molecular Weight	162.18
XLogP	2.5
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	175

SMILES

C1CC1C2=CC=CC(=C2O)C=O

InChI

InChI=1S/C10H10O2/c11-6-8-2-1-3-9(10(8)12)7-4-5-7/h1-3,6-7,12H,4-5H2

InChIKey

BJIFLIGOKXQCEP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1206776-33-1

CID: 139027016

Formula: C10H10O2

MW: 162.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.18
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	162.068079557
Monoisotopic Mass	162.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	175
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
OR54662	2-Hydroxy-4-cyclopropylbenzaldehyde
OR54660-01	2-Hydroxy-5-cyclopropylbenzaldehyde
OR307251	2-Cyclopropylbenzaldehyde
OR307252-01	3-Cyclopropylbenzaldehyde
OR1101223-01	4-Bromo-2-cyclopropylbenzaldehyde
OR1096534-01	4-Chloro-2-cyclopropylbenzaldehyde
OR1085289-01	3-Chloro-4-cyclopropylbenzaldehyde
OR1087482-01	4-Chloro-3-cyclopropylbenzaldehyde
OR307253-01	4-Cyclopropylbenzaldehyde
OR1010998-01	3-Hydroxy-2,2-Dimethylpropyl 3-Hydroxy-2,2-Dimethylpropanoate

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