3-(3-Bromophenyl)-3-oxopropanoic acid
CAS No.:
1000556-86-4
M. Wt:
243.05400
M. Fa:
C9H7BrO3
InChI Key:
SWMJEGPBNHRGBN-UHFFFAOYSA-N
Names and Identifiers of 3-(3-Bromophenyl)-3-oxopropanoic acid
CAS Number |
1000556-86-4 |
|---|---|
MDL Number |
MFCD09925500 |
IUPAC Name |
3-(3-bromophenyl)-3-oxopropanoic acid |
InChI |
InChI=1S/C9H7BrO3/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4H,5H2,(H,12,13) |
InChIKey |
SWMJEGPBNHRGBN-UHFFFAOYSA-N |
Canonical SMILES |
O=C(O)CC(=O)C1=CC=CC(Br)=C1 |
UNSPSC Code |
12352100 |
Physical and chemical properties of 3-(3-Bromophenyl)-3-oxopropanoic acid
Exact Mass |
241.95800 |
|---|---|
H Bond Acceptors |
3 |
H Bond Donors |
1 |
LogP |
2.10650 |
Molecular Formula |
C9H7BrO3 |
Molecular Weight |
243.05400 |
PSA |
54.37000 |
