AG008P5S

75853-49-5 | 12-METHYLTRIDECANAL

AG008P5S

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CAS Number	75853-49-5
Catalog Number	AG008P5S(AGN-PC-0KNXI1)
Chemical Name	12-METHYLTRIDECANAL
FEMA Number	4005
IUPAC Name	12-methyltridecanal
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
MDL Number	MFCD10000650
Molecular Formula	C14H28O
Molecular Weight	212.3715
SMILES	CC(C)CCCCCCCCCCC=O
UNII	T2RF910W7E
Synonyms	12-methyltridecanal, 12-MT aldehyde, 12-Methyltridecanal, 75853-49-5, Isotetradecan-1-al, 12-MT Aldehyde, Isotetradecanal, Tridecanal, 12-methyl-, UNII-T2RF910W7E, 12-Methyl-tridecanal, T2RF910W7E, 12-Methyl Tridecanal, EINECS 299-099-3, AC1Q1PCY, AC1MI6W1, SCHEMBL756048, CTK2H8292, OQWNKUAZQSLNSR-UHFFFAOYSA-N, 12-Methyltridecanal, Technical grade, LMFA06000257, MFCD10000650, ZINC33606582, AKOS015902044, 93843-20-0, AJ-86226, AN-37099, U076, AB1006101, AX8245106, FT-0672289, ST24038237, 853M495, A838526, I14-13321, Tridecanal, 12-metil-, C14H28O, C14-H28-O, ACN-038201, CID3018619,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.214g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.377g/mol
Monoisotopic Mass	212.214g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number