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


Chemical Name: Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, dimethyl ester
CAS Number: 115913-32-1
Product Number: AG000H3K(AGN-PC-000D64)
Synonyms:
MDL No:
Molecular Formula: C9H12O4
Molecular Weight: 184.1892

Identification/Properties


Computed Properties
Molecular Weight:
184.191g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
184.074g/mol
Monoisotopic Mass:
184.074g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
227
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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