Structure Database (LMSD)

Common Name
2-isopropyl trans-crotonic acid
Systematic Name
2-isopropyl-2E-butenoic acid
Synonyms
LM ID
LMFA01020122
Formula
Exact Mass
Calculate m/z
128.08373
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
KPEWEFZCRAOPHV-GQCTYLIASA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-4-6(5(2)3)7(8)9/h4-5H,1-3H3,(H,8,9)/b6-4+
SMILES (Click to copy)
C/C=C(\C(C)C)/C(=O)O

Other Databases

CHEBI ID
LIPIDBANK ID
DFA7090
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 141.96
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.67
Molar Refractivity 36.23

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Created at
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Updated at
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