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Melissic acid

CAT: 0024-sc-215293Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-215293Size:100 mg
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CAS Number
506-50-3

Chemical Information

Triacontanoic acid

Triacontanoic acid is a C30, very long straight-chain, saturated fatty acid. It is an ultra-long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a triacontanoate.

CAS Number506-50-3
PubChem CID10471
IUPAC Nametriacontanoic acid
Molecular FormulaC30H60O2
Molecular Weight452.8
XLogP13.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count28
Heavy Atom Count32
Formal Charge0
Complexity353
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)
InChIKey
VHOCUJPBKOZGJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triacontanoic acid
CAS: 506-50-3
CID: 10471
Formula: C30H60O2
MW: 452.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight452.8
XLogP313.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count28
Exact Mass452.45933115
Monoisotopic Mass452.45933115
Topological Polar Surface Area37.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity353
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes