1,3-Cyclopentanedicarboxylic acid


Chemical Name: 1,3-Cyclopentanedicarboxylic acid
CAS Number: 4056-78-4
Product Number: AG0076HP(AGN-PC-0D83LJ)
Synonyms:
MDL No:
Molecular Formula: C7H10O4
Molecular Weight: 158.1519

Identification/Properties


Computed Properties
Molecular Weight:
158.153g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
158.058g/mol
Monoisotopic Mass:
158.058g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
167
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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