200,000+ products from a single source!
sales@angenechem.com
10004-47-4 | 3(2H)-Isoxazolone, 5-(1-Methylethyl)-
CAS No: 10004-47-4 Catalog No: AG0093U5 MDL No:MFCD20486309
Product Description
Catalog Number:
AG0093U5
Chemical Name:
3(2H)-Isoxazolone, 5-(1-Methylethyl)-
CAS Number:
10004-47-4
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD20486309
IUPAC Name:
5-propan-2-yl-1,2-oxazol-3-one
InChI:
InChI=1S/C6H9NO2/c1-4(2)5-3-6(8)7-9-5/h3-4H,1-2H3,(H,7,8)
InChI Key:
WKKVFNUVMXLZDZ-UHFFFAOYSA-N
SMILES:
CC(c1o[nH]c(=O)c1)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.