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113864-87-2 | 1-Pyrrolidinecarboxylic acid, 2-(1-hydroxypropyl)-, phenylmethyl ester
CAS No: 113864-87-2 Catalog No: AG0009Y7 MDL No:
Product Description
Catalog Number:
AG0009Y7
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(1-hydroxypropyl)-, phenylmethyl ester
CAS Number:
113864-87-2
Molecular Formula:
C15H21NO3
Molecular Weight:
263.3321
IUPAC Name:
benzyl 2-(1-hydroxypropyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H21NO3/c1-2-14(17)13-9-6-10-16(13)15(18)19-11-12-7-4-3-5-8-12/h3-5,7-8,13-14,17H,2,6,9-11H2,1H3
InChI Key:
SUZAEQNUOCEVFD-UHFFFAOYSA-N
SMILES:
CCC(C1CCCN1C(=O)OCc1ccccc1)O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.337g/mol
Monoisotopic Mass:
263.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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