1,4-Benzenedicarboxylic acid, mono-3-butenyl ester


Chemical Name: 1,4-Benzenedicarboxylic acid, mono-3-butenyl ester
CAS Number: 62680-74-4
Product Number: AG00ER3J(AGN-PC-0ODTGD)
Synonyms:
MDL No:
Molecular Formula: C12H12O4
Molecular Weight: 220.2213

Identification/Properties


Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
220.224g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
220.074g/mol
Monoisotopic Mass:
220.074g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
264
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


NMR Spectrum


Other Analytical Data


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