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Home > Other Heterocycles > 878800-83-0
878800-83-0 | 3-Oxa-7-azabicyclo[4.1.0]hept-4-ene, 7-acetyl-2-methyl-, (1R,2R,6R)-
CAS No: 878800-83-0 Catalog No: AG004FXO MDL No:
Product Description
Catalog Number:
AG004FXO
Chemical Name:
3-Oxa-7-azabicyclo[4.1.0]hept-4-ene, 7-acetyl-2-methyl-, (1R,2R,6R)-
CAS Number:
878800-83-0
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
1-[(1R,2R,6R)-2-methyl-3-oxa-7-azabicyclo[4.1.0]hept-4-en-7-yl]ethanone
InChI:
InChI=1S/C8H11NO2/c1-5-8-7(3-4-11-5)9(8)6(2)10/h3-5,7-8H,1-2H3/t5-,7-,8+,9?/m1/s1
InChI Key:
POMGPVUMFJXPCC-HJVNBAFISA-N
SMILES:
C[C@H]1OC=C[C@@H]2[C@H]1N2C(=O)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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