2-methylene hexanal

2-methylene hexanal
Compound Structure:
Synonyms: 2-Methylenehexanal;2-Butylacrolein;2-methylidenehexanal;1070-66-2;Hexanal, 2-methylene-;2-methylene-hexanal;BF22JRQ925;2-n-Butylacrolein;alpha-butylacrolein;2-Butylacrylaldehyde ;2-Butylacrolein,
Compound ID: NMPC-266
PubChem ID:

70612
Molecular Formula: C7H12O
Canonical SMILES: CCCCC(=C)C=O
InChIKey: IWEWQGKFUYQGSN-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

112.17 g/mol

XLogP3-AA

2.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

4

Exact Mass

112.088815002 g/mol

Monoisotopic Mass

112.088815002 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

8

Formal Charge

0

Complexity

84.4

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

Source: PubChem
Source Species: Hippocratea indica
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