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Home > Other Heterocycles > 1132677-95-2
1132677-95-2 | benzyl N-{3-formylbicyclo[2.2.1]hept-5-en-2-yl}carbamate
CAS No: 1132677-95-2 Catalog No: AG019Q81 MDL No:MFCD13806392
Product Description
Catalog Number:
AG019Q81
Chemical Name:
benzyl N-{3-formylbicyclo[2.2.1]hept-5-en-2-yl}carbamate
CAS Number:
1132677-95-2
Molecular Formula:
C16H17NO3
Molecular Weight:
271.3111
MDL Number:
MFCD13806392
IUPAC Name:
benzyl N-(3-formyl-2-bicyclo[2.2.1]hept-5-enyl)carbamate
InChI:
InChI=1S/C16H17NO3/c18-9-14-12-6-7-13(8-12)15(14)17-16(19)20-10-11-4-2-1-3-5-11/h1-7,9,12-15H,8,10H2,(H,17,19)
InChI Key:
BBEFTHISPJVNDF-UHFFFAOYSA-N
SMILES:
O=CC1C2C=CC(C1NC(=O)OCc1ccccc1)C2
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.316g/mol
Monoisotopic Mass:
271.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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