AG00DAZQ

4971-18-0 | 2-Ethylcyclopentanone

AG00DAZQ

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CAS Number	4971-18-0
Catalog Number	AG00DAZQ(AGN-PC-0JD0RG)
Chemical Name	2-Ethylcyclopentanone
EC Number	225-612-7
IUPAC Name	2-ethylcyclopentan-1-one
InChI	InChI=1S/C7H12O/c1-2-6-4-3-5-7(6)8/h6H,2-5H2,1H3
InChI Key	PPTKUTYPOKHBTL-UHFFFAOYSA-N
MDL Number	MFCD00019314
Molecular Formula	C7H12O
Molecular Weight	112.1696
NSC Number	105441
SMILES	O=C1C(CC)CCC1
Synonyms	2-Ethylcyclopentanone, 4971-18-0, 2-Ethylcyclopentan-1-one, 5-Ethylcyclopentanone, Cyclopentanone, 2-ethyl-, (R)-2-ethylcyclopentanone, 61215-75-6, Cyclopentanone, 2-ethyl-, (2S)-, 71049-87-1, EINECS 225-612-7, NSC105441, AC1Q6DGW, ACMC-20mv56, AC1L3P9G, SCHEMBL2689519, CTK2F5688, PPTKUTYPOKHBTL-UHFFFAOYSA-N, 133907-27-4, ALBB-014713, 6742AB, MFCD00019314, AKOS005174693, ACN-053529, DS-5481, MCULE-1884299455, NSC-105441, RP19069, KS-00000N15, AK112291, BB 0258601, FT-0683919, Y-9548, F8889-4518, Z1415893970, C7H12O, C7-H12-O, CID92991, AR-1G8143, 6271-17-6, 64847-88-7,

Complexity	96.6
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	1
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 Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number