Home Other Building Blocks (E)-oct-2-enedioic acid

(E)-oct-2-enedioic acid

CAS No.:
5698-50-0
Catalog Number:
AG00ESUT
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00ESUT
Chemical Name:
(E)-oct-2-enedioic acid
CAS Number:
5698-50-0
IUPAC Name:
(E)-oct-2-enedioic acid
InChI:
InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h3,5H,1-2,4,6H2,(H,9,10)(H,11,12)/b5-3+
InChI Key:
BNTPVRGYUHJFHN-HWKANZROSA-N
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties