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Home > Aldehydes > 143392-02-3
143392-02-3 | 2-Naphthalenecarboxaldehyde, 1,4-dihydro-3-(methylthio)-1-oxo-
CAS No: 143392-02-3 Catalog No: AG006VBA MDL No:
Product Description
Catalog Number:
AG006VBA
Chemical Name:
2-Naphthalenecarboxaldehyde, 1,4-dihydro-3-(methylthio)-1-oxo-
CAS Number:
143392-02-3
Molecular Formula:
C12H10O2S
Molecular Weight:
218.2716
IUPAC Name:
3-methylsulfanyl-1-oxo-4H-naphthalene-2-carbaldehyde
InChI:
InChI=1S/C12H10O2S/c1-15-11-6-8-4-2-3-5-9(8)12(14)10(11)7-13/h2-5,7H,6H2,1H3
InChI Key:
NYAKAPGRUQXPLP-UHFFFAOYSA-N
SMILES:
CSC1=C(C=O)C(=O)c2c(C1)cccc2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.27g/mol
Monoisotopic Mass:
218.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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