200,000+ products from a single source!
sales@angenechem.com
58950-88-2 | 2-[4-(methylsulfanyl)phenyl]-2-oxoacetaldehyde
CAS No: 58950-88-2 Catalog No: AG01A1WU MDL No:MFCD22565974
Product Description
Catalog Number:
AG01A1WU
Chemical Name:
2-[4-(methylsulfanyl)phenyl]-2-oxoacetaldehyde
CAS Number:
58950-88-2
Molecular Formula:
C9H8O2S
Molecular Weight:
180.2236
MDL Number:
MFCD22565974
IUPAC Name:
2-(4-methylsulfanylphenyl)-2-oxoacetaldehyde
InChI:
InChI=1S/C9H8O2S/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-6H,1H3
InChI Key:
FFOLNXONBCWUFQ-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C(=O)C=O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.221g/mol
Monoisotopic Mass:
180.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
© 2019 Angene International Limited. All rights Reserved.