Structure Database (LMSD)

Common Name
4-hydroxy-crotonic acid
Systematic Name
4-hydroxy-2E-butenoic acid
Synonyms
LM ID
LMFA01050398
Formula
Exact Mass
Calculate m/z
102.031695
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
RMQJECWPWQIIPW-OWOJBTEDSA-N
InChi (Click to copy)
InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h1-2,5H,3H2,(H,6,7)/b2-1+
SMILES (Click to copy)
C(=O)(O)/C=C/CO

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 98.85
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP -0.10
Molar Refractivity 24.35

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Created at
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Updated at
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