AG0029TS

20500-49-6 | 3,3-Dimethylcyclopentanone

AG0029TS

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CAS Number	20500-49-6
Catalog Number	AG0029TS(AGN-PC-0JU8ES)
Chemical Name	3,3-Dimethylcyclopentanone
IUPAC Name	3,3-dimethylcyclopentan-1-one
InChI	InChI=1S/C7H12O/c1-7(2)4-3-6(8)5-7/h3-5H2,1-2H3
InChI Key	JSYAQLZSGHPSJD-UHFFFAOYSA-N
MDL Number	MFCD18917067
Molecular Formula	C7H12O
Molecular Weight	112.1696
SMILES	O=C1CCC(C1)(C)C
Synonyms	3,3-dimethylcyclopentanone, 20500-49-6, cyclopentanone, 3,3-dimethyl-, 3,3-dimethylcyclopentan-1-one, AC1LD6HK, 3,?3-?Dimethylcyclopentano?ne, SCHEMBL1392715, 3,3-dimethyl-cyclopentan-1-one, CTK0J8804, DTXSID90349112, JSYAQLZSGHPSJD-UHFFFAOYSA-N, MFCD18917067, ZINC32302956, AKOS023398720, CS-W018408, MCULE-9814375082, KS-0000088H, BS-12975, SC-60428, FT-0719085, Y-8036, InChI=1/C7H12O/c1-7(2)4-3-6(8)5-7/h3-5H2,1-2H, CID643102, 1621-91-6,

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	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Signal Words	warning
UN Code	\N

Certificate of Analysis

Lot Number