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145995-98-8 | 2-Propenoic acid, 2-methyl-, 2-sulfopropyl ester
CAS No: 145995-98-8 Catalog No: AG001DL2 MDL No:
Product Description
Catalog Number:
AG001DL2
Chemical Name:
2-Propenoic acid, 2-methyl-, 2-sulfopropyl ester
CAS Number:
145995-98-8
Molecular Formula:
C7H12O5S
Molecular Weight:
208.2322
IUPAC Name:
1-(2-methylprop-2-enoyloxy)propane-2-sulfonic acid
InChI:
InChI=1S/C7H12O5S/c1-5(2)7(8)12-4-6(3)13(9,10)11/h6H,1,4H2,2-3H3,(H,9,10,11)
InChI Key:
RTZNGLQAICCIFI-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)O)COC(=O)C(=C)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.228g/mol
Monoisotopic Mass:
208.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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