Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid


Chemical Name: Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
CAS Number: 56842-95-6
Product Number: AG0039E2(AGN-PC-0NKF9Z)
Synonyms:
MDL No:
Molecular Formula: C7H8O4
Molecular Weight: 156.1360

Identification/Properties


Computed Properties
Molecular Weight:
156.137g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
156.042g/mol
Monoisotopic Mass:
156.042g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
203
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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