200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 885273-72-3
885273-72-3 | 3-(3,4-Dimethylphenyl)isoxazole-5-carbaldehyde
CAS No: 885273-72-3 Catalog No: AG0089O0 MDL No:MFCD06738497
Product Description
Catalog Number:
AG0089O0
Chemical Name:
3-(3,4-Dimethylphenyl)isoxazole-5-carbaldehyde
CAS Number:
885273-72-3
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD06738497
IUPAC Name:
3-(3,4-dimethylphenyl)-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C12H11NO2/c1-8-3-4-10(5-9(8)2)12-6-11(7-14)15-13-12/h3-7H,1-2H3
InChI Key:
NKCCZRTTZWSJBA-UHFFFAOYSA-N
SMILES:
O=Cc1onc(c1)c1ccc(c(c1)C)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.