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57822-06-7 | 5-OXOAZELAIC ACID
CAS No: 57822-06-7 Catalog No: AG003MY2 MDL No:MFCD00075542
Product Description
Catalog Number:
AG003MY2
Chemical Name:
5-OXOAZELAIC ACID
CAS Number:
57822-06-7
Molecular Formula:
C9H14O5
Molecular Weight:
202.2045
MDL Number:
MFCD00075542
IUPAC Name:
5-oxononanedioic acid
InChI:
InChI=1S/C9H14O5/c10-7(3-1-5-8(11)12)4-2-6-9(13)14/h1-6H2,(H,11,12)(H,13,14)
InChI Key:
GTCHZEFRDKAINX-UHFFFAOYSA-N
SMILES:
O=C(CCCC(=O)O)CCCC(=O)O
NSC Number:
111667
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.206g/mol
Monoisotopic Mass:
202.084g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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