CCOC(=O)CC(=O)[O-]
Name: 3-ethoxy-3-oxopropanoate
SMILES: CCOC(=O)CC(=O)[O-]

Molecular Processing

Molecular formula
C5H7O4-
Molecular weight
131.11
Exact mass
131.035
XLogP
-1.31
TPSA
66.43
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
26.26

Supplementary Information

InChIKey: HGINADPHJQTSKN-UHFFFAOYSA-M
Synonyme
3-ethoxy-3-oxopropanoatePropanedioic acid, monoethyl esterMonoethylmalonateethyl monomalonatemono ethylmalonatemono ethyl malonatemono-ethyl-malonateethoxycarbonyl-acetateHGINADPHJQTSKN-UHFFFAOYSA-MSTK499011AKOS005455477
Quelle anzeigen →
An 228 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→