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12-Methyltridecanal

Catalog Number ACM75853495
CAS 75853-49-5
Structure 12-Methyltridecanal
IUPAC Name 12-methyltridecanal
Synonyms 12-Methyltridecanal;75853-49-5;Isotetradecan-1-al;Isotetradecanal;12-MT Aldehyde;UNII-T2RF910W7E;T2RF910W7E;Tridecanal, 12-methyl-;MFCD10000650;12-Methyl-tridecanal;12-Methyl Tridecanal;EINECS 299-099-3;12-Methyltridecanal, 85%;SCHEMBL756048;DTXSID20868381;12-Methyltridecanal, Technical grade;LMFA06000257;ZINC33606582;AKOS015902044;93843-20-0;U076;FT-0672289;853M495;A838526;Q27289588
Molecular Weight 212.38
Molecular Formula C14H28O
Canonical SMILES CC(C)CCCCCCCCCCC=O
InChI InChI=1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3
InChI Key OQWNKUAZQSLNSR-UHFFFAOYSA-N
Density 0.930-0.941
Solubility Insoluble in water; soluble in heptane;soluble (in ethanol)
Complexity 129
Covalently-Bonded Unit Count 1
EC Number 299-099-3;616-272-4
Exact Mass 212.214015512g/mol
Heavy Atom Count 15
Hydrogen Bond Acceptor Count 1
Monoisotopic Mass 212.214015512g/mol
Refractive Index 1.445-1.455
Rotatable Bond Count 11
Topological Polar Surface Area 17.1Ų
UNII T2RF910W7E
X Log P3 5.7
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