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832142-18-4 | Cyclopropaneacetic acid, 1-[(methylsulfonyl)oxy]-, phenylmethyl ester
CAS No: 832142-18-4 Catalog No: AG0057Y8 MDL No:
Product Description
Catalog Number:
AG0057Y8
Chemical Name:
Cyclopropaneacetic acid, 1-[(methylsulfonyl)oxy]-, phenylmethyl ester
CAS Number:
832142-18-4
Molecular Formula:
C13H16O5S
Molecular Weight:
284.3281
IUPAC Name:
benzyl 2-(1-methylsulfonyloxycyclopropyl)acetate
InChI:
InChI=1S/C13H16O5S/c1-19(15,16)18-13(7-8-13)9-12(14)17-10-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChI Key:
ARUAYUYUSMWDQY-UHFFFAOYSA-N
SMILES:
O=C(CC1(CC1)OS(=O)(=O)C)OCc1ccccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.326g/mol
Monoisotopic Mass:
284.072g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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