AG0080IW

129414-26-2 | Methyl 4-pyrrolidin-1-ylbenzoate

AG0080IW

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CAS Number	129414-26-2
Catalog Number	AG0080IW(AGN-PC-0LVVNT)
Chemical Name	Methyl 4-pyrrolidin-1-ylbenzoate
IUPAC Name	methyl 4-pyrrolidin-1-ylbenzoate
InChI	InChI=1S/C12H15NO2/c1-15-12(14)10-4-6-11(7-5-10)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3
InChI Key	XNIVNLQKURGIAY-UHFFFAOYSA-N
MDL Number	MFCD00731259
Molecular Formula	C12H15NO2
Molecular Weight	205.2530
SMILES	COC(=O)C1=CC=C(C=C1)N1CCCC1
Synonyms	129414-26-2, methyl 4-pyrrolidin-1-ylbenzoate, METHYL 4-(PYRROLIDIN-1-YL)BENZOATE, Methyl 4-(1-pyrrolidinyl)benzenecarboxylate, 1-[4-(Methoxycarbonyl)phenyl]pyrrolidine, Methyl 4-Pyrrolidin-1-1ylbenzoate, 4-(1-pyrrolidinyl)benzoic acid methyl ester, Benzoicacid, 4-(1-pyrrolidinyl)-, methyl ester, methyl 4-pyrrolidinylbenzoate, W-205311, ACMC-1BXVX, AC1ODZ6T, Oprea1_736029, SCHEMBL2951325, CTK4B6262, DTXSID00426266, XNIVNLQKURGIAY-UHFFFAOYSA-N, KS-000024RK, ZX-AT009820, ANW-74386, MFCD00731259, OR1439, SBB093500, ZINC12336566, AKOS000348825, EA-0708, MCULE-1881257491, RP04533, RTR-004065, AC-26530, AJ-60979, SC-59786, ST000175, AX8139066, DB-041925, TR-004065, 4-Pyrrolidin-1-yl-benzoic acid methyl ester, CS-0061847, FT-0643109, Y7375, 4-pyrrolidine-1-yl-benzoic acid methyl ester, J3.607.427B, A805936, C-42447, I01-15593, C12H15NO2, Methyl4-(pyrrolidin-1-yl)benzoate, ZINC00895965, CID6971085,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.11g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.257g/mol
Monoisotopic Mass	205.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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