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(4E)-oct-4-enedioic acid

(4E)-oct-4-enedioic acid

CAS: 48059-97-8

Formula: C8H12O4

SMILES: OC(=O)CCC=CCCC(O)=O

IUPAC: (4E)-oct-4-enedioic acid

InChI: InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-2H,3-6H2,(H,9,10)(H,11,12)/b2-1+

Composition: C (55.81%), H (7.03%), O (37.17%)

Molar Mass: 172.18

Atom Count: 24

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 172.073558866
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey LQVYKEXVMZXOAH-OWOJBTEDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.06
Topological Polar Surface Area 74.6
Polarizability 16.34
Ring Count 0
Rotatable Bond Count 6

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