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128018-44-0 | Carbamic acid, N-[(1S)-1-[(2S)-2-oxiranyl]-2-phenylethyl]-, phenylmethyl ester
CAS No: 128018-44-0 Catalog No: AG000XOQ MDL No:
Product Description
Catalog Number:
AG000XOQ
Chemical Name:
Carbamic acid, N-[(1S)-1-[(2S)-2-oxiranyl]-2-phenylethyl]-, phenylmethyl ester
CAS Number:
128018-44-0
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
IUPAC Name:
benzyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
InChI:
InChI=1S/C18H19NO3/c20-18(22-12-15-9-5-2-6-10-15)19-16(17-13-21-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17+/m0/s1
InChI Key:
DURMMNMFHRIMJD-DLBZAZTESA-N
SMILES:
O=C(N[C@H]([C@H]1CO1)Cc1ccccc1)OCc1ccccc1
EC Number:
603-250-4
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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