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Home > Aldehydes > 129747-73-5
129747-73-5 | 3-sulfanylbenzaldehyde
CAS No: 129747-73-5 Catalog No: AG01A8I7 MDL No:MFCD16547527
Product Description
Catalog Number:
AG01A8I7
Chemical Name:
3-sulfanylbenzaldehyde
CAS Number:
129747-73-5
Molecular Formula:
C7H6OS
Molecular Weight:
138.1869
MDL Number:
MFCD16547527
IUPAC Name:
3-sulfanylbenzaldehyde
InChI:
InChI=1S/C7H6OS/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
InChI Key:
KWXVVLHKADHVRM-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)S
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.014g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.184g/mol
Monoisotopic Mass:
138.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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