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156469-70-4 | 3-Pyrrolidinecarboxylic acid, 4-phenyl-, methyl ester, (3R,4S)-rel-
CAS No: 156469-70-4 Catalog No: AG001OQB MDL No:MFCD01862546
Product Description
Catalog Number:
AG001OQB
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-phenyl-, methyl ester, (3R,4S)-rel-
CAS Number:
156469-70-4
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD01862546
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
SMILES:
COC(=O)[C@H]1CNC[C@@H]1c1ccccc1
Properties
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
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