AG00EKNE

645-67-0 | Pentanoic acid, 4-oxo-, propyl ester

AG00EKNE

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CAS Number	645-67-0
Catalog Number	AG00EKNE(AGN-PC-0JNAMK)
Chemical Name	Pentanoic acid, 4-oxo-, propyl ester
FEMA Number	4480
IUPAC Name	propyl 4-oxopentanoate
InChI	InChI=1S/C8H14O3/c1-3-6-11-8(10)5-4-7(2)9/h3-6H2,1-2H3
InChI Key	QOSMNYMQXIVWKY-UHFFFAOYSA-N
MDL Number	MFCD16041935
Molecular Formula	C8H14O3
Molecular Weight	158.1950
NSC Number	4876
SMILES	O=C(C)CCC(OCCC)=O
UNII	V2C79957U4
Synonyms	Propyl levulinate, Propyl 4-oxopentanoate, 645-67-0, n-Propyl levulinate, Pentanoic acid, 4-oxo-, propyl ester, UNII-V2C79957U4, V2C79957U4, Levulinic acid, propyl ester, FEMA No. 4480, NSC4876, Propyl 4-oxopentanoate #, Levulinic acid propyl ester, AC1L59QD, AC1Q5H4F, Propyl levulinate, >=95%, SCHEMBL166674, CTK5C1411, KS-00000SEJ, DTXSID70214753, QOSMNYMQXIVWKY-UHFFFAOYSA-N, NSC-4876, ZINC1680431, MFCD16041935, Pentanoic acid, 4-oxo-,propyl ester, AKOS009166418, AK326213, DS-11858, I14-7269, Propyl Ester, 4-Oxopentanoic acid, 9CI, Pentanoicacid,4-oxo-,propylester, AR-1K8114, CID221069, 62163-33-1,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.094g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	158.197g/mol
Monoisotopic Mass	158.094g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number