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1502-36-9 | Heptadecanedioic acid, 9-oxo-
CAS No: 1502-36-9 Catalog No: AG001MEV MDL No:
Product Description
Catalog Number:
AG001MEV
Chemical Name:
Heptadecanedioic acid, 9-oxo-
CAS Number:
1502-36-9
Molecular Formula:
C17H30O5
Molecular Weight:
314.4171
IUPAC Name:
9-oxoheptadecanedioic acid
InChI:
InChI=1S/C17H30O5/c18-15(11-7-3-1-5-9-13-16(19)20)12-8-4-2-6-10-14-17(21)22/h1-14H2,(H,19,20)(H,21,22)
InChI Key:
PIDPYYAWBYNTFO-UHFFFAOYSA-N
SMILES:
O=C(CCCCCCCC(=O)O)CCCCCCCC(=O)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.209g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.422g/mol
Monoisotopic Mass:
314.209g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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