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114087-02-4 | Phosphonic acid, 2H-1-benzopyran-2-yl-, diethyl ester (9CI)
CAS No: 114087-02-4 Catalog No: AG000AIU MDL No:
Product Description
Catalog Number:
AG000AIU
Chemical Name:
Phosphonic acid, 2H-1-benzopyran-2-yl-, diethyl ester (9CI)
CAS Number:
114087-02-4
Molecular Formula:
C13H17O4P
Molecular Weight:
268.2454
IUPAC Name:
2-diethoxyphosphoryl-2H-chromene
InChI:
InChI=1S/C13H17O4P/c1-3-15-18(14,16-4-2)13-10-9-11-7-5-6-8-12(11)17-13/h5-10,13H,3-4H2,1-2H3
InChI Key:
NRAQTBNMOSIIQL-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C1C=Cc2c(O1)cccc2)OCC
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.249g/mol
Monoisotopic Mass:
268.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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