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17872-59-2 | Propanoyl chloride, 3-(acetyloxy)-2-[(acetyloxy)methyl]-2-methyl-
CAS No: 17872-59-2 Catalog No: AG00268V MDL No:
Product Description
Catalog Number:
AG00268V
Chemical Name:
Propanoyl chloride, 3-(acetyloxy)-2-[(acetyloxy)methyl]-2-methyl-
CAS Number:
17872-59-2
Molecular Formula:
C9H13ClO5
Molecular Weight:
236.6495
IUPAC Name:
[2-(acetyloxymethyl)-3-chloro-2-methyl-3-oxopropyl] acetate
InChI:
InChI=1S/C9H13ClO5/c1-6(11)14-4-9(3,8(10)13)5-15-7(2)12/h4-5H2,1-3H3
InChI Key:
ZZNTYUTVZBEQIB-UHFFFAOYSA-N
SMILES:
ClC(=O)C(COC(=O)C)(COC(=O)C)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.648g/mol
Monoisotopic Mass:
236.045g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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