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Home > Other Heterocycles > 31007-58-6
31007-58-6 | 2-Oxa-3-azabicyclo[3.2.0]hepta-3,6-diene, 4-methyl-
CAS No: 31007-58-6 Catalog No: AG0031XD MDL No:
Product Description
Catalog Number:
AG0031XD
Chemical Name:
2-Oxa-3-azabicyclo[3.2.0]hepta-3,6-diene, 4-methyl-
CAS Number:
31007-58-6
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
IUPAC Name:
4-methyl-2-oxa-3-azabicyclo[3.2.0]hepta-3,6-diene
InChI:
InChI=1S/C6H7NO/c1-4-5-2-3-6(5)8-7-4/h2-3,5-6H,1H3
InChI Key:
SMHKAKBTLLACKQ-UHFFFAOYSA-N
SMILES:
CC1=NOC2C1C=C2
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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