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1261241-82-0 | 1-Pyrrolidinecarboxylic acid, 3-ethenyl-4-hydroxy-, phenylmethyl ester, (3R,4S)-rel-
CAS No: 1261241-82-0 Catalog No: AG000RPC MDL No:
Product Description
Catalog Number:
AG000RPC
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-ethenyl-4-hydroxy-, phenylmethyl ester, (3R,4S)-rel-
CAS Number:
1261241-82-0
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
benzyl (3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H17NO3/c1-2-12-8-15(9-13(12)16)14(17)18-10-11-6-4-3-5-7-11/h2-7,12-13,16H,1,8-10H2/t12-,13-/m0/s1
InChI Key:
SURBGBXZQCEZPR-STQMWFEESA-N
SMILES:
C=C[C@@H]1CN(C[C@H]1O)C(=O)OCc1ccccc1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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