COMPOUND: C05126
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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
Mol file
KCF file
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CAS:
617-54-9
PubChem:
7547
ChEBI:
4607
NIKKAJI:
J16.836J
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KCF data
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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
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