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TACA

CAT: 0572-TRC-T004010-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T004010-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38090-53-8
Synonyms
TACA; trans-4-Amino-2-butenoic Acid, trans-4-Aminocrotonic Acid; (E)-4-Amino-2-butenoic Acid; (2E)-4-Amino-2-butenoic Acid;
Hazard Statement
Harmful if swallowed
Smiles
NC\C=C\C(=O)O
Molecular Formula
C4 H7 N O2
Molecular Weight
101.104
InChI
InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+
Additionnal Information
IUPAC name: (E)-4-aminobut-2-enoic acid
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

4-Aminocrotonic acid
CAS Number38090-53-8
PubChem CID5310987
IUPAC Name(E)-4-aminobut-2-enoic acid
Molecular FormulaC4H7NO2
Molecular Weight101.10
XLogP-3.2
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity87
SMILES
C(/C=C/C(=O)O)N
InChI
InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+
InChIKey
FMKJUUQOYOHLTF-OWOJBTEDSA-N
Chemical Structure
2D Structure
2D structure of 4-Aminocrotonic acid
CAS: 38090-53-8
CID: 5310987
Formula: C4H7NO2
MW: 101.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight101.10
XLogP3-3.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass101.047678466
Monoisotopic Mass101.047678466
Topological Polar Surface Area63.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity87.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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