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100915-48-8 | Pentanedioic acid, 2,4-diacetyl-3-formyl-, 1,5-diethyl ester
CAS No: 100915-48-8 Catalog No: AG00036M MDL No:
Product Description
Catalog Number:
AG00036M
Chemical Name:
Pentanedioic acid, 2,4-diacetyl-3-formyl-, 1,5-diethyl ester
CAS Number:
100915-48-8
Molecular Formula:
C14H20O7
Molecular Weight:
300.3044
IUPAC Name:
diethyl 2,4-diacetyl-3-formylpentanedioate
InChI:
InChI=1S/C14H20O7/c1-5-20-13(18)11(8(3)16)10(7-15)12(9(4)17)14(19)21-6-2/h7,10-12H,5-6H2,1-4H3
InChI Key:
DKYDPQIHSLTSKB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(C(C(=O)OCC)C(=O)C)C=O)C(=O)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.307g/mol
Monoisotopic Mass:
300.121g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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