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114364-43-1 | 2(3H)-Benzoxazolone, 3-ethylhexahydro-
CAS No: 114364-43-1 Catalog No: AG000B5E MDL No:
Product Description
Catalog Number:
AG000B5E
Chemical Name:
2(3H)-Benzoxazolone, 3-ethylhexahydro-
CAS Number:
114364-43-1
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
3-ethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one
InChI:
InChI=1S/C9H15NO2/c1-2-10-7-5-3-4-6-8(7)12-9(10)11/h7-8H,2-6H2,1H3
InChI Key:
FHBSTJVHHGAYFP-UHFFFAOYSA-N
SMILES:
CCN1C(=O)OC2C1CCCC2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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