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1624258-63-4 | 7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, phenylmethyl ester, (6R)-
CAS No: 1624258-63-4 Catalog No: AG001T34 MDL No:
Product Description
Catalog Number:
AG001T34
Chemical Name:
7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, phenylmethyl ester, (6R)-
CAS Number:
1624258-63-4
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
benzyl (6S)-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
InChI:
InChI=1S/C13H15NO3/c15-13(14-7-6-11-12(8-14)17-11)16-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12?/m0/s1
InChI Key:
PHSSLYCBJRMEEV-PXYINDEMSA-N
SMILES:
O=C(N1CC[C@@H]2C(C1)O2)OCc1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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