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502-50-1 | 4-Oxoheptanedioic acid
CAS No: 502-50-1 Catalog No: AG003434 MDL No:MFCD00002798
Product Description
Catalog Number:
AG003434
Chemical Name:
4-Oxoheptanedioic acid
CAS Number:
502-50-1
Molecular Formula:
C7H10O5
Molecular Weight:
174.1513
MDL Number:
MFCD00002798
IUPAC Name:
4-oxoheptanedioic acid
InChI:
InChI=1S/C7H10O5/c8-5(1-3-6(9)10)2-4-7(11)12/h1-4H2,(H,9,10)(H,11,12)
InChI Key:
UDDSEESQRGPVIL-UHFFFAOYSA-N
SMILES:
O=C(CCC(=O)O)CCC(=O)O
EC Number:
207-941-8
NSC Number:
16642
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.152g/mol
Monoisotopic Mass:
174.053g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Enantioselective synthesis of the C1-C11 fragment of bafilomycin A1 using non-Wittig and desymmetrization strategies. | The Journal of organic chemistry 20030613 |
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