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182317-02-8 | 1,2-Benzisoxazole,3-ethoxy-4,5,6,7-tetrahydro-(9CI)
CAS No: 182317-02-8 Catalog No: AG00AUT0 MDL No:
Product Description
Catalog Number:
AG00AUT0
Chemical Name:
1,2-Benzisoxazole,3-ethoxy-4,5,6,7-tetrahydro-(9CI)
CAS Number:
182317-02-8
IUPAC Name:
3-ethoxy-4,5,6,7-tetrahydro-1,2-benzoxazole
InChI:
InChI=1S/C9H13NO2/c1-2-11-9-7-5-3-4-6-8(7)12-10-9/h2-6H2,1H3
InChI Key:
TVMNGGWODLNFFV-UHFFFAOYSA-N
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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