200,000+ products from a single source!
sales@angenechem.com
96520-39-7 | 4-BUTYL-5-METHYL-3-ISOXAZOLOL
CAS No: 96520-39-7 Catalog No: AG005TVI MDL No:MFCD03425784
Product Description
Catalog Number:
AG005TVI
Chemical Name:
4-BUTYL-5-METHYL-3-ISOXAZOLOL
CAS Number:
96520-39-7
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD03425784
IUPAC Name:
4-butyl-5-methyl-1,2-oxazol-3-one
InChI:
InChI=1S/C8H13NO2/c1-3-4-5-7-6(2)11-9-8(7)10/h3-5H2,1-2H3,(H,9,10)
InChI Key:
KNFWICANIRTVAF-UHFFFAOYSA-N
SMILES:
CCCCc1c(C)onc1O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.