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88690-90-8 | Phosphoric acid, 2,3-dihydro-2-oxobenzo[b]thien-3-yl dimethyl ester
CAS No: 88690-90-8 Catalog No: AG0046U0 MDL No:
Product Description
Catalog Number:
AG0046U0
Chemical Name:
Phosphoric acid, 2,3-dihydro-2-oxobenzo[b]thien-3-yl dimethyl ester
CAS Number:
88690-90-8
Molecular Formula:
C10H11O5PS
Molecular Weight:
274.2301
IUPAC Name:
dimethyl (2-oxo-3H-1-benzothiophen-3-yl) phosphate
InChI:
InChI=1S/C10H11O5PS/c1-13-16(12,14-2)15-9-7-5-3-4-6-8(7)17-10(9)11/h3-6,9H,1-2H3
InChI Key:
GOJQSHAZIRTALR-UHFFFAOYSA-N
SMILES:
COP(=O)(OC1C(=O)Sc2c1cccc2)OC
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.006g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.227g/mol
Monoisotopic Mass:
274.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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