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7149-59-9 | Diethyl 3-oxohexanedioate
CAS No: 7149-59-9 Catalog No: AG005HP7 MDL No:MFCD00056286
Product Description
Catalog Number:
AG005HP7
Chemical Name:
Diethyl 3-oxohexanedioate
CAS Number:
7149-59-9
Molecular Formula:
C10H16O5
Molecular Weight:
216.2310
MDL Number:
MFCD00056286
IUPAC Name:
diethyl 3-oxohexanedioate
InChI:
InChI=1S/C10H16O5/c1-3-14-9(12)6-5-8(11)7-10(13)15-4-2/h3-7H2,1-2H3
InChI Key:
ONRIYMIXCUUSNS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)CC(=O)OCC
EC Number:
230-479-3
NSC Number:
72263
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.233g/mol
Monoisotopic Mass:
216.1g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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