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Home > Other Heterocycles > 77149-75-8
77149-75-8 | 2-Azabicyclo[2.2.0]hex-5-en-3-one, 5-(phenylmethoxy)-
CAS No: 77149-75-8 Catalog No: AG005DUI MDL No:MFCD24550594
Product Description
Catalog Number:
AG005DUI
Chemical Name:
2-Azabicyclo[2.2.0]hex-5-en-3-one, 5-(phenylmethoxy)-
CAS Number:
77149-75-8
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD24550594
IUPAC Name:
5-phenylmethoxy-2-azabicyclo[2.2.0]hex-5-en-3-one
InChI:
InChI=1S/C12H11NO2/c14-12-11-9(13-12)6-10(11)15-7-8-4-2-1-3-5-8/h1-6,9,11H,7H2,(H,13,14)
InChI Key:
XAVZICIMDOWWBH-UHFFFAOYSA-N
SMILES:
O=C1NC2C1C(=C2)OCc1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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