C(C(=O)C(=O)O)Br
CAS: 1113-59-3
Название: 3-bromo-2-oxopropanoic acid
SMILES: C(C(=O)C(=O)O)Br

Molecular Processing

Molecular formula
C3H3BrO3
Molecular weight
166.96
Exact mass
165.9266
XLogP
0.03
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
26.44

Supplementary Information

InChIKey: PRRZDZJYSJLDBS-UHFFFAOYSA-N
Синонимы
bromopyruvic acid3-bromopyruvic acid1113-59-33-bromo-2-oxopropanoic acidbromopyruvate3-Bromo-2-oxopropionic acid63JMV04GRKDTXSID7040940NSC-11731NSC-62343CHEBI:1314613-BrPA cpdRefChem:499406DTXCID5020940214-206-53-bromopyruvatePyruvic acid, bromo-Propanoic acid, 3-bromo-2-oxo-3-bromopyruvicacidMFCD000025873-bromo-2-oxo-propionic acid.beta.-Bromopyruvic acid3-BPBromopyruvicacidC3H3BrO33-BrPAEINECS 214-206-5NSC 11731NSC 62343UNII-63JMV04GRK
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