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(Z)-but-2-enedioic acid;prop-2-yn-1-amine

HCID 5355698
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Basic information

CAS
7143-08-0
Standard SMILES
C#CCN.O=C(O)/C=C\C(=O)O
InChIKey
YHPBQUGHEBVKQC-ODZAUARKSA-N
Molecular formula
C7H9NO4
Average molar mass
171.15 g/mol
Monoisotopic mass
171.05315777

Names & identifiers

Preferred name
(Z)-but-2-enedioic acid;prop-2-yn-1-amine
IUPAC
(Z)-but-2-enedioic acid;prop-2-yn-1-amine

Names & synonyms

NSC43797NSC-437977143-08-0

Database identifiers

CAS
7143-08-0
PubChem CID
5355698

Properties

Computed structural properties

Topological polar surface area
101 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
157

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Compound notes

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