AG002I6P

18928-91-1 | Propanedioic acid, 2-cyclopentyl-, 1,3-diethyl ester

AG002I6P

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CAS Number	18928-91-1
Catalog Number	AG002I6P(AGN-PC-0JOL2A)
Chemical Name	Propanedioic acid, 2-cyclopentyl-, 1,3-diethyl ester
IUPAC Name	diethyl 2-cyclopentylpropanedioate
InChI	InChI=1S/C12H20O4/c1-3-15-11(13)10(12(14)16-4-2)9-7-5-6-8-9/h9-10H,3-8H2,1-2H3
InChI Key	WXPOKLNJWFXXQO-UHFFFAOYSA-N
MDL Number	MFCD00059514
Molecular Formula	C12H20O4
Molecular Weight	228.2848
NSC Number	67358
SMILES	O=C(OCC)C(C1CCCC1)C(OCC)=O
Synonyms	Diethyl cyclopentylmalonate, 18928-91-1, Diethyl 2-cyclopentylmalonate, Cyclopentylmalonic Acid Diethyl Ester, diethyl 2-cyclopentylpropanedioate, WXPOKLNJWFXXQO-UHFFFAOYSA-N, Propanedioic acid, cyclopentyl-, diethyl ester, diethyl 2-cyclopentylpropane-1,3-dioate, ACMC-1BTXX, DiethylCyclopentylmalonate, Diethyl=cyclopentylmalonate, AC1L6O3T, AC1Q63TB, SCHEMBL334541, Diethyl 2-cyclopentylmalonate #, Jsp003888, CTK3J3526, WXPOKLNJWFXXQO-UHFFFAOYSA-, DTXSID10290213, NSC67358, ZINC1694412, 6373AD, ANW-23438, MFCD00059514, NSC-67358, SBB054138, AKOS015913846, 1,3-diethyl 2-cyclopentylpropanedioate, MCULE-3306145336, KS-0000163M, 2-cyclopentyl-malonic acid diethyl ester, AS-30543, CJ-28406, RT-001523, FT-0693216, ST50949428, I14-43839, Propanedioic acid, 2-cyclopentyl-, 1,3-diethyl ester, InChI=1/C12H20O4/c1-3-15-11(13)10(12(14)16-4-2)9-7-5-6-8-9/h9-10H,3-8H2,1-2H3, C12H20O4, AR-1I4664, c0944, CID249269, 21689-46-3,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.136g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.288g/mol
Monoisotopic Mass	228.136g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number