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73771-35-4 | Benzaldehyde, 3-(methylthio)-
CAS No: 73771-35-4 Catalog No: AG005XL9 MDL No:MFCD09864229
Product Description
Catalog Number:
AG005XL9
Chemical Name:
Benzaldehyde, 3-(methylthio)-
CAS Number:
73771-35-4
Molecular Formula:
C8H8OS
Molecular Weight:
152.2135
MDL Number:
MFCD09864229
IUPAC Name:
3-methylsulfanylbenzaldehyde
InChI:
InChI=1S/C8H8OS/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3
InChI Key:
XJNCVVVHUWTVCB-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)C=O
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.211g/mol
Monoisotopic Mass:
152.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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