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21099-01-4 | 1,3,2-Benzodioxaphosphole, 2-(acetyloxy)- (9CI)
CAS No: 21099-01-4 Catalog No: AG002L3K MDL No:
Product Description
Catalog Number:
AG002L3K
Chemical Name:
1,3,2-Benzodioxaphosphole, 2-(acetyloxy)- (9CI)
CAS Number:
21099-01-4
Molecular Formula:
C8H7O4P
Molecular Weight:
198.1125
IUPAC Name:
1,3,2-benzodioxaphosphol-2-yl acetate
InChI:
InChI=1S/C8H7O4P/c1-6(9)10-13-11-7-4-2-3-5-8(7)12-13/h2-5H,1H3
InChI Key:
LJUMENPNQAJNRR-UHFFFAOYSA-N
SMILES:
CC(=O)OP1Oc2c(O1)cccc2
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.114g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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