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Home > Aldehydes > 744984-09-6
744984-09-6 | Benzaldehyde, 3-methoxy-4-(sulfooxy)-
CAS No: 744984-09-6 Catalog No: AG005WOU MDL No:
Product Description
Catalog Number:
AG005WOU
Chemical Name:
Benzaldehyde, 3-methoxy-4-(sulfooxy)-
CAS Number:
744984-09-6
Molecular Formula:
C8H8O6S
Molecular Weight:
232.2105
IUPAC Name:
(4-formyl-2-methoxyphenyl) hydrogen sulfate
InChI:
InChI=1S/C8H8O6S/c1-13-8-4-6(5-9)2-3-7(8)14-15(10,11)12/h2-5H,1H3,(H,10,11,12)
InChI Key:
OUIKMDRGUNIXSP-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1OS(=O)(=O)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.004g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.206g/mol
Monoisotopic Mass:
232.004g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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