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23306-69-6 | 2-Butenoic acid, ammonium salt (1:1)
CAS No: 23306-69-6 Catalog No: AG002MU8 MDL No:
Product Description
Catalog Number:
AG002MU8
Chemical Name:
2-Butenoic acid, ammonium salt (1:1)
CAS Number:
23306-69-6
Molecular Formula:
C4H9NO2
Molecular Weight:
103.1198
IUPAC Name:
azanium;(E)-but-2-enoate
InChI:
InChI=1S/C4H6O2.H3N/c1-2-3-4(5)6;/h2-3H,1H3,(H,5,6);1H3/b3-2+;
InChI Key:
HMQGJGGUWFSPDQ-SQQVDAMQSA-N
SMILES:
[O-]C(=O)C=CC.[NH4+]
EC Number:
245-569-8
Properties
Complexity:
68.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
103.063g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
103.121g/mol
Monoisotopic Mass:
103.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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