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140927-07-7 | 2-Azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, phenylMethyl ester
CAS No: 140927-07-7 Catalog No: AG001FMV MDL No:
Product Description
Catalog Number:
AG001FMV
Chemical Name:
2-Azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, phenylMethyl ester
CAS Number:
140927-07-7
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
benzyl 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
InChI:
InChI=1S/C14H15NO2/c16-14(15-9-12-6-7-13(15)8-12)17-10-11-4-2-1-3-5-11/h1-7,12-13H,8-10H2
InChI Key:
NDKQMNWQGHSZMJ-UHFFFAOYSA-N
SMILES:
O=C(N1CC2CC1C=C2)OCc1ccccc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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