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Home > Aldehydes > 828242-88-2
828242-88-2 | Benzaldehyde, 3-[(methylthio)methoxy]-
CAS No: 828242-88-2 Catalog No: AG005699 MDL No:
Product Description
Catalog Number:
AG005699
Chemical Name:
Benzaldehyde, 3-[(methylthio)methoxy]-
CAS Number:
828242-88-2
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
IUPAC Name:
3-(methylsulfanylmethoxy)benzaldehyde
InChI:
InChI=1S/C9H10O2S/c1-12-7-11-9-4-2-3-8(5-9)6-10/h2-6H,7H2,1H3
InChI Key:
GYVNSBBRTKUXLW-UHFFFAOYSA-N
SMILES:
CSCOc1cccc(c1)C=O
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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