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337461-33-3 | (2E)-4-(3-Bromophenyl)-4-oxobut-2-enoic acid
CAS No: 337461-33-3 Catalog No: AG01EVJ0 MDL No:
Product Description
Catalog Number:
AG01EVJ0
Chemical Name:
(2E)-4-(3-Bromophenyl)-4-oxobut-2-enoic acid
CAS Number:
337461-33-3
Molecular Formula:
C10H7BrO3
Molecular Weight:
255.0648
IUPAC Name:
(E)-4-(3-bromophenyl)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C10H7BrO3/c11-8-3-1-2-7(6-8)9(12)4-5-10(13)14/h1-6H,(H,13,14)/b5-4+
InChI Key:
JDXFDXTZXXJCQT-SNAWJCMRSA-N
SMILES:
OC(=O)/C=C/C(=O)c1cccc(c1)Br
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
253.958g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.067g/mol
Monoisotopic Mass:
253.958g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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