AG001OQB

156469-70-4 | Methyl DL-trans-4-Phenylpyrrolidine-3-carboxylate

AG001OQB

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CAS Number	156469-70-4
Catalog Number	AG001OQB(AGN-PC-0Q74CM)
Chemical Name	Methyl DL-trans-4-Phenylpyrrolidine-3-carboxylate
IUPAC Name	methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate
InChI	InChI=1S/C12H15NO2/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11+/m1/s1
InChI Key	RHZYPIMJMZIAGF-MNOVXSKESA-N
MDL Number	MFCD01862546
Molecular Formula	C12H15NO2
Molecular Weight	205.2530
SMILES	O=C([C@H]1CNC[C@@H]1C2=CC=CC=C2)OC
Synonyms	Trans-methyl 4-phenylpyrrolidine-3-carboxylate, 156469-70-4, Methyl DL-trans-4-Phenylpyrrolidine-3-carboxylate, SCHEMBL2451839, RHZYPIMJMZIAGF-MNOVXSKESA-N, ZINC2386739, AR1364, AJ-35375, AK-92990, AS-45099, AB0000663, AX8026033, V3538, (3R*,4S*)-4-Phenyl-pyrrolidine-3-carboxylic acid methyl ester, C12H15NO2,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
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	1
Isotope Atom Count	0
Molecular Weight	205.257g/mol
Monoisotopic Mass	205.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

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