Sulfurous acid, 2-propyl tridecyl ester

Sulfurous acid, 2-propyl tridecyl ester
Compound Structure:
Synonyms: Sulfurous acid, 2-propyl tridecyl ester
Compound ID: NMPC-1508
PubChem ID:

6420355
Molecular Formula: C16H34O3S
Canonical SMILES: CCCCCCCCCCCCCOS(=O)OC(C)C
InChIKey: OOONNLUBRNIRBT-UHFFFAOYSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

306.5 g/mol

XLogP3-AA

7.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

15

Exact Mass

306.22286612 g/mol

Monoisotopic Mass

306.22286612 g/mol

Topological Polar Surface Area

54.7Ų

Heavy Atom Count

20

Formal Charge

0

Complexity

220

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: Nymphaea lotus
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