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1217190-38-9 | 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-hydroxy-, phenylMethyl ester
CAS No: 1217190-38-9 Catalog No: AG0015MJ MDL No:MFCD24038878
Product Description
Catalog Number:
AG0015MJ
Chemical Name:
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-hydroxy-, phenylMethyl ester
CAS Number:
1217190-38-9
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD24038878
IUPAC Name:
benzyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
InChI:
InChI=1S/C14H17NO3/c16-13-7-12-6-11(13)8-15(12)14(17)18-9-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9H2
InChI Key:
MBWICDZTOSCKLV-UHFFFAOYSA-N
SMILES:
OC1CC2CC1CN2C(=O)OCc1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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