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113887-31-3 | Heptanedial, 3,5-diethoxy-2,6-bis(1-methylethyl)- (9CI)
CAS No: 113887-31-3 Catalog No: AG0009ZG MDL No:
Product Description
Catalog Number:
AG0009ZG
Chemical Name:
Heptanedial, 3,5-diethoxy-2,6-bis(1-methylethyl)- (9CI)
CAS Number:
113887-31-3
Molecular Formula:
C17H32O4
Molecular Weight:
300.4336
IUPAC Name:
3,5-diethoxy-2,6-di(propan-2-yl)heptanedial
InChI:
InChI=1S/C17H32O4/c1-7-20-16(14(10-18)12(3)4)9-17(21-8-2)15(11-19)13(5)6/h10-17H,7-9H2,1-6H3
InChI Key:
QPCCCKBJLGVPQS-UHFFFAOYSA-N
SMILES:
CCOC(C(C(C)C)C=O)CC(C(C(C)C)C=O)OCC
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.23g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.439g/mol
Monoisotopic Mass:
300.23g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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