AG0027RW

18362-64-6 | 3,5-Heptanedione, 2,6-dimethyl-

AG0027RW

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CAS Number	18362-64-6
Catalog Number	AG0027RW(AGN-PC-0JLWWE)
Chemical Name	3,5-Heptanedione, 2,6-dimethyl-
EC Number	242-234-8
IUPAC Name	2,6-dimethylheptane-3,5-dione
InChI	InChI=1S/C9H16O2/c1-6(2)8(10)5-9(11)7(3)4/h6-7H,5H2,1-4H3
InChI Key	CEGGECULKVTYMM-UHFFFAOYSA-N
MDL Number	MFCD00015040
Molecular Formula	C9H16O2
Molecular Weight	156.2221
SMILES	CC(C)C(CC(C(C)C)=O)=O
Synonyms	2,6-Dimethyl-3,5-heptanedione, 18362-64-6, 2,6-Dimethylheptane-3,5-dione, Diisobutyrylmethane, 3,5-Heptanedione, 2,6-dimethyl-, CEGGECULKVTYMM-UHFFFAOYSA-N, MFCD00015040, 2,6-Dimethyl-3,5-heptanedione, 99%, EINECS 242-234-8, ACMC-209ekw, AC1L3DZL, AC1Q5C2O, SCHEMBL181668, 2,6-dimethyl-3,5-heptandione, CTK3J6101, KS-00000UMD, ZINC2560568, 6166AD, ANW-23166, SBB056494, AKOS004115273, AJ-40602, AS-47892, RT-002866, A4059, D2413, FT-0610686, I14-99971, C9H16O2, CID87597, AR-1D4963, C9-H16-O2, 18775-42-3,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.115g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.225g/mol
Monoisotopic Mass	156.115g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
Signal Words	danger
UN Code	UN 1224

Certificate of Analysis

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