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89767-98-6 | 2-Propenoic acid, 3-[3-methoxy-4-[(methylsulfonyl)oxy]phenyl]-
CAS No: 89767-98-6 Catalog No: AG003YOS MDL No:
Product Description
Catalog Number:
AG003YOS
Chemical Name:
2-Propenoic acid, 3-[3-methoxy-4-[(methylsulfonyl)oxy]phenyl]-
CAS Number:
89767-98-6
Molecular Formula:
C11H12O6S
Molecular Weight:
272.2744
IUPAC Name:
3-(3-methoxy-4-methylsulfonyloxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C11H12O6S/c1-16-10-7-8(4-6-11(12)13)3-5-9(10)17-18(2,14)15/h3-7H,1-2H3,(H,12,13)
InChI Key:
MGCGUAFMRSMVCG-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)O)ccc1OS(=O)(=O)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.271g/mol
Monoisotopic Mass:
272.035g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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