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261350-47-4 | 2,1-Benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-
CAS No: 261350-47-4 Catalog No: AG002RSW MDL No:MFCD10566736
Product Description
Catalog Number:
AG002RSW
Chemical Name:
2,1-Benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-
CAS Number:
261350-47-4
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD10566736
IUPAC Name:
4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxylic acid
InChI:
InChI=1S/C8H9NO3/c10-8(11)7-5-3-1-2-4-6(5)9-12-7/h1-4H2,(H,10,11)
InChI Key:
RZZGDFMRRLFKRP-UHFFFAOYSA-N
SMILES:
OC(=O)c1onc2c1CCCC2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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