Monoisopropyl fumarate

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Catalog Number
ACM7529875
Product Name
Monoisopropyl fumarate
Structure
Structure
CAS
7529-87-5
Category
Heterocyclic Organic Compound
Description
Liquid
IUPAC Name
(E)-4-oxo-4-propan-2-yloxybut-2-enoic acid
Molecular Weight
158.15g/mol
Molecular Formula
C7H10O4
Canonical SMILES
CC(C)OC(=O)C=CC(=O)O
InChI
InChI=1S/C7H10O4/c1-5(2)11-7(10)4-3-6(8)9/h3-5H,1-2H3,(H,8,9)/b4-3+
InChI Key
FWUIHQFQLSWYED-ONEGZZNKSA-N
Complexity
181
Covalently-Bonded Unit Count
1
Exact Mass
158.057909g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
1
Heavy Atom Count
11
Monoisotopic Mass
158.057909g/mol
Rotatable Bond Count
4
XLogP3
0.7
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