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102154-41-6 | Acetic acid, 2-[(2-phenylethenyl)sulfonyl]-
CAS No: 102154-41-6 Catalog No: AG0006RW MDL No:
Product Description
Catalog Number:
AG0006RW
Chemical Name:
Acetic acid, 2-[(2-phenylethenyl)sulfonyl]-
CAS Number:
102154-41-6
Molecular Formula:
C10H10O4S
Molecular Weight:
226.2490
IUPAC Name:
2-[(E)-2-phenylethenyl]sulfonylacetic acid
InChI:
InChI=1S/C10H10O4S/c11-10(12)8-15(13,14)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,12)/b7-6+
InChI Key:
WCOXFTGMNJJABC-VOTSOKGWSA-N
SMILES:
OC(=O)CS(=O)(=O)C=Cc1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
226.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.246g/mol
Monoisotopic Mass:
226.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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