KEGG   COMPOUND: C05126
Entry
C05126                      Compound                               
Name
Dimethyl citraconate;
Citraconic acid dimethyl ester;
2-Butenedioic acid, 2-methyl-, dimethyl ester, (Z)-;
Citraconate de dimethyle;
Citraconic acid, dimethyl ester;
Dimethyl methylmaleate;
Methylmaleic acid, dimethyl ester
Formula
C7H10O4
Exact mass
158.0579
Mol weight
158.1519
Structure
Other DBs
CAS: 617-54-9
PubChem: 7547
ChEBI: 4607
NIKKAJI: J16.836J
KCF data

ATOM        11
            1   C1a C    18.4100  -21.4200
            2   O7a O    19.6224  -20.7200
            3   C7a C    20.8349  -21.4200
            4   C2c C    22.0473  -20.7200
            5   C2b C    23.2597  -21.4200
            6   C7a C    24.4722  -20.7200
            7   O7a O    25.6846  -21.4200
            8   C1a C    26.8970  -20.7200
            9   O6a O    20.8349  -22.8198
            10  O6a O    24.4722  -19.3203
            11  C1a C    22.0473  -19.3200
BOND        10
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     3   9 2
            9     6  10 2
            10    4  11 1

» Japanese version

  All links  
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (3)   

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