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1013-14-5 | 1,2-Benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-, ethyl ester
CAS No: 1013-14-5 Catalog No: AG000466 MDL No:
Product Description
Catalog Number:
AG000466
Chemical Name:
1,2-Benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-, ethyl ester
CAS Number:
1013-14-5
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
ethyl 4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylate
InChI:
InChI=1S/C10H13NO3/c1-2-13-10(12)9-7-5-3-4-6-8(7)14-11-9/h2-6H2,1H3
InChI Key:
IBKOUOQPDXANCJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1noc2c1CCCC2
NSC Number:
134330
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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