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Home > Aldehydes > 1082412-31-4
1082412-31-4 | 2-[(3,4-DIMETHYLPHENYL)SULFANYL]ACETALDEHYDE
CAS No: 1082412-31-4 Catalog No: AG01BIUH MDL No:MFCD11585673
Product Description
Catalog Number:
AG01BIUH
Chemical Name:
2-[(3,4-DIMETHYLPHENYL)SULFANYL]ACETALDEHYDE
CAS Number:
1082412-31-4
Molecular Formula:
C10H12OS
Molecular Weight:
180.2667
MDL Number:
MFCD11585673
IUPAC Name:
2-(3,4-dimethylphenyl)sulfanylacetaldehyde
InChI:
InChI=1S/C10H12OS/c1-8-3-4-10(7-9(8)2)12-6-5-11/h3-5,7H,6H2,1-2H3
InChI Key:
NRTWDEQFVMKHOO-UHFFFAOYSA-N
SMILES:
O=CCSc1ccc(c(c1)C)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.265g/mol
Monoisotopic Mass:
180.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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