598-10-7
C₅H₆O₄·130.100 g/mol·CID 69017
IUPAC: cyclopropane-1,1-dicarboxylic acid
Also known as: 1,1-Cyclopropanedicarboxylic acid, 1,1-Cyclopropanedicarboxylate, T2P6A98UKV, DTXSID20208526, CPrDCA (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
130.100g/mol
Exact Mass
130.026609Da
Monoisotopic Mass
130.026609Da
XLogP
-0.2
Polar Surface Area
74.6Ų
Complexity
152
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
4
Rotatable Bonds
2
Heavy Atoms
9
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 130.1 g/mol
MW ≤ 500
✓ -0.2
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H314Causes severe skin burns and eye damage
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₅H₆O₄
(E)-4-methoxy-4-oxobut-2-enoic acid
CID 5369209 · 130.1 g/mol
(E)-pent-2-enedioic acid
CID 5280498 · 130.1 g/mol
2-methylidenebutanedioic acid
CID 811 · 130.1 g/mol
(Z)-4-methoxy-4-oxobut-2-enoic acid
CID 5354456 · 130.1 g/mol
(E)-2-methylbut-2-enedioic acid
CID 638129 · 130.1 g/mol
(Z)-2-methylbut-2-enedioic acid
CID 643798 · 130.1 g/mol
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455 · 130.1 g/mol
pent-2-enedioic acid
CID 74406 · 130.1 g/mol