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91358-96-2 | 4-Mercaptobenzaldehyde
CAS No: 91358-96-2 Catalog No: AG0036UH MDL No:MFCD00127921
Product Description
Catalog Number:
AG0036UH
Chemical Name:
4-Mercaptobenzaldehyde
CAS Number:
91358-96-2
Molecular Formula:
C7H6OS
Molecular Weight:
138.1869
MDL Number:
MFCD00127921
IUPAC Name:
4-sulfanylbenzaldehyde
InChI:
InChI=1S/C7H6OS/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChI Key:
NRLPPGBADQVXSJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)S
Properties
Complexity:
95.1
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:
1.6
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