AG001Q85

158474-72-7 | Cyclopentaneacetic acid, 3-oxo-2-pentyl-, propyl ester

AG001Q85

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CAS Number	158474-72-7
Catalog Number	AG001Q85(AGN-PC-02LSQH)
Chemical Name	Cyclopentaneacetic acid, 3-oxo-2-pentyl-, propyl ester
EC Number	605-149-0
IUPAC Name	propyl 2-(3-oxo-2-pentylcyclopentyl)acetate
InChI	InChI=1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3
InChI Key	IPDFPNNPBMREIF-UHFFFAOYSA-N
MDL Number	MFCD08458957
Molecular Formula	C15H26O3
Molecular Weight	254.3651
SMILES	O=C(OCCC)CC1C(CCCCC)C(CC1)=O
UNII	NE65U4JM0F
Synonyms	Prohydrojasmon racemate, 158474-72-7, UNII-NE65U4JM0F, NE65U4JM0F, Prohydrojasmon, isomer 1, SCHEMBL3245957, IPDFPNNPBMREIF-UHFFFAOYSA-N, AKOS030525325, HY-112101, CS-0043350, PROPYL 2-(3-OXO-2-PENTYLCYCLOPENTYL)ACETATE, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, propyl ester, Prohydrojasmon, CID11184378, Propyl 2-(3-oxo-2-pentyl-cyclopentyl)acetate,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.188g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.37g/mol
Monoisotopic Mass	254.188g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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