Hexenal

Hexenal
Compound Structure:
Synonyms: Hex-2-enal; Hexenal; 2-Hexen-1-al; 2-Hexenaldehyde; 3-Propyl-acrolein; Hexen-2-al; Hexen-2-en-1-al; Alpha.beta-Hexylenaldehyd
Compound ID: NMPC-1128
PubChem ID:

10460
Molecular Formula: C6H10O
Canonical SMILES: CCCC=CC=O
InChIKey: MBDOYVRWFFCFHM-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

98.14 g/mol

XLogP3-AA

1.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

3

Exact Mass

98.073164938 g/mol

Monoisotopic Mass

98.073164938 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

7

Formal Charge

0

Complexity

64.6

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

1

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem            
Source Species: Palisota hirsuta
Download SDF