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Home > Bromides > 1199586-87-2
1199586-87-2 | 5,8-Dioxaspiro[3.4]octane-2-carboxylic acid, 2-(4-bromophenyl)-
CAS No: 1199586-87-2 Catalog No: AG000PVQ MDL No:MFCD22199277
Product Description
Catalog Number:
AG000PVQ
Chemical Name:
5,8-Dioxaspiro[3.4]octane-2-carboxylic acid, 2-(4-bromophenyl)-
CAS Number:
1199586-87-2
Molecular Formula:
C13H13BrO4
Molecular Weight:
313.1439
MDL Number:
MFCD22199277
IUPAC Name:
2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane-2-carboxylic acid
InChI:
InChI=1S/C13H13BrO4/c14-10-3-1-9(2-4-10)12(11(15)16)7-13(8-12)17-5-6-18-13/h1-4H,5-8H2,(H,15,16)
InChI Key:
FJCAREVMNSGSFN-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CC2(C1)OCCO2)c1ccc(cc1)Br
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.147g/mol
Monoisotopic Mass:
312g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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