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Structure

3-Bromo-4-oxo-4-phenylbutanoic acid

CAS
53515-22-3
Catalog Number
ACM53515223
Category
Other Products
Molecular Weight
257.08
Molecular Formula
C10H9BrO3

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Specification

Synonyms
NSC83013, MolPort-002-345-060, CID256295, 4K-525S, 53515-22-3
IUPAC Name
3-bromo-4-oxo-4-phenylbutanoic acid
Canonical SMILES
C1=CC=C(C=C1)C(=O)C(CC(=O)O)Br
InChI Key
VPUHMOLSUUYGEJ-UHFFFAOYSA-N
Boiling Point
371.2ºC at 760mmHg
Melting Point
121-124ºC
Flash Point
178.3ºC
Density
1.585g/cm³
Exact Mass
255.97400
H-Bond Acceptor
3
H-Bond Donor
1
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