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Home > Other Heterocycles > 163260-73-9
163260-73-9 | Benzoic acid, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-
CAS No: 163260-73-9 Catalog No: AG001TXX MDL No:
Product Description
Catalog Number:
AG001TXX
Chemical Name:
Benzoic acid, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-
CAS Number:
163260-73-9
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
4-(1,4-dioxaspiro[4.5]decan-8-yl)benzoic acid
InChI:
InChI=1S/C15H18O4/c16-14(17)13-3-1-11(2-4-13)12-5-7-15(8-6-12)18-9-10-19-15/h1-4,12H,5-10H2,(H,16,17)
InChI Key:
RXTBZHWAFRMKNN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C1CCC2(CC1)OCCO2
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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