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16184-79-5 | Propanal, 3-(acetyloxy)-2,2-dimethyl-
CAS No: 16184-79-5 Catalog No: AG001VXU MDL No:
Product Description
Catalog Number:
AG001VXU
Chemical Name:
Propanal, 3-(acetyloxy)-2,2-dimethyl-
CAS Number:
16184-79-5
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
(2,2-dimethyl-3-oxopropyl) acetate
InChI:
InChI=1S/C7H12O3/c1-6(9)10-5-7(2,3)4-8/h4H,5H2,1-3H3
InChI Key:
GXYDISAHHSQZRO-UHFFFAOYSA-N
SMILES:
O=CC(COC(=O)C)(C)C
EC Number:
811-188-6
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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