2-Ethylbutyraldehyde

CAT: 0127-OR923312-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR923312-01Size:5 g

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CAS Number

97-96-1

MDL Number

MFCD00006985

Purity

90%

Smiles

CCC(CC)C=O

Chemical Information

2-Ethylbutyraldehyde

2-Ethylbutanal is an organooxygen compound.

CAS Number	97-96-1
PubChem CID	7359
IUPAC Name	2-ethylbutanal
Molecular Formula	C6H12O
Molecular Weight	100.16
XLogP	1.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	46

SMILES

CCC(CC)C=O

InChI

InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3

InChIKey

UNNGUFMVYQJGTD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 97-96-1

CID: 7359

Formula: C6H12O

MW: 100.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	100.16
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	100.088815002
Monoisotopic Mass	100.088815002
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	46.1
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

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