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897653-01-9 | 7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylicacid
CAS No: 897653-01-9 Catalog No: AG00402Z MDL No:
Product Description
Catalog Number:
AG00402Z
Chemical Name:
7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylicacid
CAS Number:
897653-01-9
Molecular Formula:
C6H9NO3
Molecular Weight:
143.1406
IUPAC Name:
7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid
InChI:
InChI=1S/C6H9NO3/c8-6(9)7-2-1-4-5(3-7)10-4/h4-5H,1-3H2,(H,8,9)
InChI Key:
NQLSDPXGVIPAJR-UHFFFAOYSA-N
SMILES:
OC(=O)N1CCC2C(C1)O2
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.142g/mol
Monoisotopic Mass:
143.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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