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2055840-97-4 | 3-Furancarboxylic acid, tetrahydro-4-[[(1R)-1-phenylethyl]amino]-, methyl ester, (3S,4S)-rel-
CAS No: 2055840-97-4 Catalog No: AG002A6X MDL No:
Product Description
Catalog Number:
AG002A6X
Chemical Name:
3-Furancarboxylic acid, tetrahydro-4-[[(1R)-1-phenylethyl]amino]-, methyl ester, (3S,4S)-rel-
CAS Number:
2055840-97-4
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
methyl (3S,4S)-4-[[(1R)-1-phenylethyl]amino]oxolane-3-carboxylate
InChI:
InChI=1S/C14H19NO3/c1-10(11-6-4-3-5-7-11)15-13-9-18-8-12(13)14(16)17-2/h3-7,10,12-13,15H,8-9H2,1-2H3/t10-,12-,13-/m1/s1
InChI Key:
VYWULYQHYAJIJY-RAIGVLPGSA-N
SMILES:
COC(=O)[C@@H]1COC[C@H]1N[C@@H](c1ccccc1)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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