AG003HNH

19594-40-2 | 2-Methyl-4-Undecanone

AG003HNH

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CAS Number	19594-40-2
Catalog Number	AG003HNH(AGN-PC-0JOJMA)
Chemical Name	2-Methyl-4-Undecanone
EC Number	243-176-6
IUPAC Name	2-methylundecan-4-one
InChI	InChI=1S/C12H24O/c1-4-5-6-7-8-9-12(13)10-11(2)3/h11H,4-10H2,1-3H3
InChI Key	IEBAJFDSHJYDCK-UHFFFAOYSA-N
MDL Number	MFCD00027319
Molecular Formula	C12H24O
Molecular Weight	184.3184
NSC Number	60572
SMILES	CC(C)CC(CCCCCCC)=O
UNII	LN53YFA9O0
Synonyms	2-Methyl-4-undecanone, 19594-40-2, 2-Methylundecan-4-one, 4-Undecanone, 2-methyl-, Heptyl isobutyl ketone, UNII-LN53YFA9O0, LN53YFA9O0, isobutylheptylketon, EINECS 243-176-6, methyl-4-undecanone, NSC 60572, ACMC-209ezu, n-Heptyl isobutyl ketone, AC1Q2VVA, AC1L6J5Q, AC1Q5H8J, SCHEMBL608057, DTXSID3066508, CTK0H6636, IEBAJFDSHJYDCK-UHFFFAOYSA-N, NSC60572, ZINC1690313, ANW-23704, MFCD00027319, NSC-60572, AKOS009158801, CS-W004342, MCULE-8560500059, ACM19594402, CC-11405, SC-99489, SY053651, DB-044924, TX-016497, FT-0637881, I0250, MFCD00027319 (97%), C-07271, Isobutyl heptyl ketone, C12H24O, AR-1E4221, C12-H24-O, CID246924, 2243-44-9,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.183g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.323g/mol
Monoisotopic Mass	184.183g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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