AG003984

4541-32-6 | 2,2-Dimethylcyclopentanone

AG003984

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CAS Number	4541-32-6
Catalog Number	AG003984(AGN-PC-0JMQ0Y)
Chemical Name	2,2-Dimethylcyclopentanone
IUPAC Name	2,2-dimethylcyclopentan-1-one
InChI	InChI=1S/C7H12O/c1-7(2)5-3-4-6(7)8/h3-5H2,1-2H3
InChI Key	FTGZMZBYOHMEPS-UHFFFAOYSA-N
MDL Number	MFCD00049164
Molecular Formula	C7H12O
Molecular Weight	112.1696
SMILES	CC1(C(CCC1)=O)C
Synonyms	2,2-Dimethylcyclopentanone, 4541-32-6, 2,2-dimethylcyclopentan-1-one, Cyclopentanone, 2,2-dimethyl-, Cyclopentanone, dimethyl-, FTGZMZBYOHMEPS-UHFFFAOYSA-N, F9995-0012, 2,2-Dimethylcyclopentanone, 97%, zlchem 1228, AC1L3CHA, AC1Q2COK, 2,2 dimethylcyclopentanone, 2,2-dimethyl-cyclopentanone, 2,2-dimethylcyclo pentanone, 2,2-dimethylcyclo-pentanone, SCHEMBL104614, 2,2-dimethyl-cyclopentan-1-one, CTK2I6578, DTXSID70196505, ZLE0003, 2,2-Dimethylcyclopentanone, 96%, KS-000007XC, ZINC2564196, BBL103688, MFCD00049164, STL557498, AKOS000814238, MCULE-2010694408, AJ-40997, AS-47760, AB0030863, DB-019619, RT-001818, FT-0635351, X3126, 2,2-DIMETHYLCYCLOPENTANONE (D6-METHYL), L-2617, 541D326, I14-47891, Z1354602525, 82530-86-7, C7H12O, CID138286, 2,2-Dimethylcyclopentan-1-one, 97% - 1G 1g,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.089g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	112.172g/mol
Monoisotopic Mass	112.089g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H226
Precautionary statements

Certificate of Analysis

Lot Number