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


Chemical Name: Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, monomethyl ester
CAS Number: 83249-10-9
Product Number: AG0057I0(AGN-PC-0JE8GN)
Synonyms:
MDL No:
Molecular Formula: C8H10O4
Molecular Weight: 170.1626

Identification/Properties


Properties
MP:
138-139℃(Solv: chloroform (67-66-3); heptane (142-82-5))
BP:
272.2±40.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
170.164g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
170.058g/mol
Monoisotopic Mass:
170.058g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
249
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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