200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 121604-54-4
121604-54-4 | 5-Isoxazolecarboxaldehyde, 3-(1-methylethyl)- (9CI)
CAS No: 121604-54-4 Catalog No: AG009DQC MDL No:MFCD14702865
Product Description
Catalog Number:
AG009DQC
Chemical Name:
5-Isoxazolecarboxaldehyde, 3-(1-methylethyl)- (9CI)
CAS Number:
121604-54-4
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD14702865
IUPAC Name:
3-propan-2-yl-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C7H9NO2/c1-5(2)7-3-6(4-9)10-8-7/h3-5H,1-2H3
InChI Key:
WUWQUXNKNVGYRW-UHFFFAOYSA-N
SMILES:
O=Cc1onc(c1)C(C)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.