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2060038-97-1 | 4-(1-methanesulfonylethenyl)benzaldehyde
CAS No: 2060038-97-1 Catalog No: AG01BPQX MDL No:MFCD30500528
Product Description
Catalog Number:
AG01BPQX
Chemical Name:
4-(1-methanesulfonylethenyl)benzaldehyde
CAS Number:
2060038-97-1
Molecular Formula:
C10H10O3S
Molecular Weight:
210.2496
MDL Number:
MFCD30500528
IUPAC Name:
4-(1-methylsulfonylethenyl)benzaldehyde
InChI:
InChI=1S/C10H10O3S/c1-8(14(2,12)13)10-5-3-9(7-11)4-6-10/h3-7H,1H2,2H3
InChI Key:
QAHDUCWXMLVHLP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(=C)S(=O)(=O)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.247g/mol
Monoisotopic Mass:
210.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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