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89366-36-9 | Benzoic acid, 5-[(cyclohexylamino)carbonyl]-2-hydroxy-, methyl ester
CAS No: 89366-36-9 Catalog No: AG003XL7 MDL No:
Product Description
Catalog Number:
AG003XL7
Chemical Name:
Benzoic acid, 5-[(cyclohexylamino)carbonyl]-2-hydroxy-, methyl ester
CAS Number:
89366-36-9
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
IUPAC Name:
methyl 5-(cyclohexylcarbamoyl)-2-hydroxybenzoate
InChI:
InChI=1S/C15H19NO4/c1-20-15(19)12-9-10(7-8-13(12)17)14(18)16-11-5-3-2-4-6-11/h7-9,11,17H,2-6H2,1H3,(H,16,18)
InChI Key:
RMVFOCFVYWSABT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1O)C(=O)NC1CCCCC1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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