Benzene, (1-ethylnonyl)

Benzene, (1-ethylnonyl)
Compound Structure:
Synonyms: 3-Phenylundecane;4536-87-2;Benzene, (1-ethylnonyl)-;Undecane, 3-phenyl-;undecan-3-ylbenzene;(Undecan-3-yl)benzene;(1-Ethylnonyl)benzene
Compound ID: NMPC-624
PubChem ID:

20655
Molecular Formula: C17H28
Canonical SMILES: CCCCCCCCC(CC)C1=CC=CC=C1
InChIKey: NVHBFHMWJJMQTG-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

• H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

232.4 g/mol

XLogP3-AA

7.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

9

Exact Mass

232.219100893 g/mol

Monoisotopic Mass

232.219100893 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

17

Formal Charge

0

Complexity

155

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Spondias mombin
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