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13086-94-7 | Methanediol, 1-(2,4-dichlorophenyl)-, 1,1-diacetate
CAS No: 13086-94-7 Catalog No: AG000V12 MDL No:
Product Description
Catalog Number:
AG000V12
Chemical Name:
Methanediol, 1-(2,4-dichlorophenyl)-, 1,1-diacetate
CAS Number:
13086-94-7
Molecular Formula:
C11H14Cl2O6
Molecular Weight:
313.1313
IUPAC Name:
acetic acid;(2,4-dichlorophenyl)methanediol
InChI:
InChI=1S/C7H6Cl2O2.2C2H4O2/c8-4-1-2-5(7(10)11)6(9)3-4;2*1-2(3)4/h1-3,7,10-11H;2*1H3,(H,3,4)
InChI Key:
FZGHJOQEAQKCCU-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C(O)O.CC(=O)O.CC(=O)O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.017g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
313.127g/mol
Monoisotopic Mass:
312.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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