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398148-14-6 | 5(4H)-Isoxazolone, 3-nonyl-
CAS No: 398148-14-6 Catalog No: AG00777I MDL No:
Product Description
Catalog Number:
AG00777I
Chemical Name:
5(4H)-Isoxazolone, 3-nonyl-
CAS Number:
398148-14-6
Molecular Formula:
C12H21NO2
Molecular Weight:
211.3006
IUPAC Name:
3-nonyl-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C12H21NO2/c1-2-3-4-5-6-7-8-9-11-10-12(14)15-13-11/h2-10H2,1H3
InChI Key:
PCKRGUWKGVQYGM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC1=NOC(=O)C1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.305g/mol
Monoisotopic Mass:
211.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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