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115082-89-8 | Benzoic acid, 4-[(4-carboxycyclohexyl)carbonyl]-
CAS No: 115082-89-8 Catalog No: AG000FVR MDL No:
Product Description
Catalog Number:
AG000FVR
Chemical Name:
Benzoic acid, 4-[(4-carboxycyclohexyl)carbonyl]-
CAS Number:
115082-89-8
Molecular Formula:
C15H16O5
Molecular Weight:
276.2845
IUPAC Name:
4-(4-carboxycyclohexanecarbonyl)benzoic acid
InChI:
InChI=1S/C15H16O5/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20/h1-2,5-6,10,12H,3-4,7-8H2,(H,17,18)(H,19,20)
InChI Key:
CFEIHTXZHMWYKE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)O)C1CCC(CC1)C(=O)O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.288g/mol
Monoisotopic Mass:
276.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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