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86761-37-7 | 1-Propanol, 2-[(acetyloxy)methoxy]-3-chloro-, acetate
CAS No: 86761-37-7 Catalog No: AG004SBW MDL No:
Product Description
Catalog Number:
AG004SBW
Chemical Name:
1-Propanol, 2-[(acetyloxy)methoxy]-3-chloro-, acetate
CAS Number:
86761-37-7
Molecular Formula:
C8H15ClO6
Molecular Weight:
242.6541
IUPAC Name:
acetic acid;(1-chloro-3-hydroxypropan-2-yl)oxymethyl acetate
InChI:
InChI=1S/C6H11ClO4.C2H4O2/c1-5(9)10-4-11-6(2-7)3-8;1-2(3)4/h6,8H,2-4H2,1H3;1H3,(H,3,4)
InChI Key:
ONQJDXOAKWOFDM-UHFFFAOYSA-N
SMILES:
CC(=O)O.OCC(OCOC(=O)C)CCl
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.652g/mol
Monoisotopic Mass:
242.056g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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