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176909-91-4 | 4H-Cyclopent[d]isoxazole-3-carboxylic acid, 3a,5,6,6a-tetrahydro-
CAS No: 176909-91-4 Catalog No: AG0024ZI MDL No:MFCD03789035
Product Description
Catalog Number:
AG0024ZI
Chemical Name:
4H-Cyclopent[d]isoxazole-3-carboxylic acid, 3a,5,6,6a-tetrahydro-
CAS Number:
176909-91-4
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD03789035
IUPAC Name:
4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid
InChI:
InChI=1S/C7H9NO3/c9-7(10)6-4-2-1-3-5(4)11-8-6/h4-5H,1-3H2,(H,9,10)
InChI Key:
KQTVLXDCOVTAKY-UHFFFAOYSA-N
SMILES:
OC(=O)C1=NOC2C1CCC2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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