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1262409-44-8 | Carbamic acid, N-[(3R,4S)-4-hydroxy-3-pyrrolidinyl]-, phenylmethyl ester, rel-
CAS No: 1262409-44-8 Catalog No: AG000SE2 MDL No:
Product Description
Catalog Number:
AG000SE2
Chemical Name:
Carbamic acid, N-[(3R,4S)-4-hydroxy-3-pyrrolidinyl]-, phenylmethyl ester, rel-
CAS Number:
1262409-44-8
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
IUPAC Name:
benzyl N-[(3S,4R)-4-hydroxypyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C12H16N2O3/c15-11-7-13-6-10(11)14-12(16)17-8-9-4-2-1-3-5-9/h1-5,10-11,13,15H,6-8H2,(H,14,16)/t10-,11+/m0/s1
InChI Key:
XFRZHUKQUUVRFG-WDEREUQCSA-N
SMILES:
O[C@H]1CNC[C@H]1NC(=O)OCc1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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