AG0038QF

4630-80-2 | Methyl Cyclopentanecarboxylate

AG0038QF

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CAS Number	4630-80-2
Catalog Number	AG0038QF(AGN-PC-0JLRBD)
Chemical Name	Methyl Cyclopentanecarboxylate
EC Number	225-049-7
IUPAC Name	methyl cyclopentanecarboxylate
InChI	InChI=1S/C7H12O2/c1-9-7(8)6-4-2-3-5-6/h6H,2-5H2,1H3
InChI Key	IIHIJFJSXPDTNO-UHFFFAOYSA-N
MDL Number	MFCD00019290
Molecular Formula	C7H12O2
Molecular Weight	128.1690
NSC Number	87553
SMILES	C1(CCCC1)C(=O)OC
Synonyms	Methyl cyclopentanecarboxylate, 4630-80-2, Cyclopentanecarboxylic acid, methyl ester, cyclopentanecarboxylic acid methyl ester, IIHIJFJSXPDTNO-UHFFFAOYSA-N, MFCD00019290, Methyl cyclopentanecarboxylate, 97%, EINECS 225-049-7, methyl cyclopentanoate, AI3-03917, ACMC-1AM5N, Methylcyclopentanecarboxylate, AC1L2V2O, AC1Q5ZA9, methylcyclopentane carboxylate, SCHEMBL17566, methyl cyclopentane carboxylate, AC1Q43X3, methyl-1-cyclopentanecarboxylate, Cyclopentanoic acid methyl ester, CTK3J7959, Cyclopentanecarboxylic acid methyl, DTXSID50196806, ZINC406425, ALBB-016165, BCP03424, KS-000019PK, NSC87553, 6360AB, BBL101651, NSC-87553, SBB071502, STL555447, AKOS005206769, ZINC100562643, CS-W005310, MCULE-6212031690, RS-1028, cyclopentane carboxylic acid methyl ester, AJ-22478, AK114389, AM803935, SC-58226, ST097004, ZB013660, DB-013308, RT-004111, BB 0257893, FT-0624254, M2510, ST24048079, AZ0001-0278, K-9072, S14-1211, C7H12O2, CID78365, AR-1J5785, C7-H12-O2, ACN-050678, 4956-19-8,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.084g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	128.171g/mol
Monoisotopic Mass	128.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
UN Code	UN 3272

Certificate of Analysis

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