AG003P6F

5660-81-1 | 2-Cyclopentylmalonic acid

AG003P6F

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CAS Number	5660-81-1
Catalog Number	AG003P6F(AGN-PC-0JO9M8)
Chemical Name	2-Cyclopentylmalonic acid
IUPAC Name	2-cyclopentylpropanedioic acid
InChI	InChI=1S/C8H12O4/c9-7(10)6(8(11)12)5-3-1-2-4-5/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChI Key	DRHLPIHNSBNMFF-UHFFFAOYSA-N
MDL Number	MFCD00059515
Molecular Formula	C8H12O4
Molecular Weight	172.1785
NSC Number	28333
SMILES	O=C(O)C(C1CCCC1)C(O)=O
Synonyms	Cyclopentylmalonic acid, 5660-81-1, 2-Cyclopentylmalonic acid, Cyclopentanemalonic acid, 2-cyclopentylpropanedioic acid, DRHLPIHNSBNMFF-UHFFFAOYSA-N, Cyclopentylmalonsaure, CyclopentylmalonicAcid, ACMC-1AYWU, AC1L5M9K, AC1Q5RO3, 2-Cyclopentylmalonic acid #, SCHEMBL4611368, CTK5A5411, Propanedioic acid,2-cyclopentyl-, DTXSID10282835, KS-000015EI, NSC28333, ZINC1646380, ANW-32555, FCH917500, MFCD00059515, NSC-28333, AKOS006229365, FS-4601, AN-24890, TC-121300, FT-0734757, C-46657, I04-9996, 2-Styryl-1,3-dioxolane, AR-1I3313, c0945, CID231700, 2-(2-Phenylethenyl)-1,3-dioxolane, 63468-98-4,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	172.18g/mol
Monoisotopic Mass	172.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number