Home Carboxys (1E,3E)-1,3-Butadiene-1,4-dicarboxylic acid dimethyl ester

(1E,3E)-1,3-Butadiene-1,4-dicarboxylic acid dimethyl ester

CAS No.:
1119-43-3
Catalog Number:
AG008UZQ
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
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Product Description
Catalog Number:
AG008UZQ
Chemical Name:
(1E,3E)-1,3-Butadiene-1,4-dicarboxylic acid dimethyl ester
CAS Number:
1119-43-3
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
IUPAC Name:
dimethyl (2E,4E)-hexa-2,4-dienedioate
InChI:
InChI=1S/C8H10O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H,1-2H3/b5-3+,6-4+
InChI Key:
PXYBXMZVYNWQAM-GGWOSOGESA-N
SMILES:
COC(=O)/C=C/C=C/C(=O)OC
UNII:
E2B8XTM21E
NSC Number:
167514
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties