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137066-30-9 | Benzoic acid, 4-amino-3-hydroxy-, cyclohexyl ester
CAS No: 137066-30-9 Catalog No: AG0012S6 MDL No:MFCD13329501
Product Description
Catalog Number:
AG0012S6
Chemical Name:
Benzoic acid, 4-amino-3-hydroxy-, cyclohexyl ester
CAS Number:
137066-30-9
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD13329501
IUPAC Name:
cyclohexyl 4-amino-3-hydroxybenzoate
InChI:
InChI=1S/C13H17NO3/c14-11-7-6-9(8-12(11)15)13(16)17-10-4-2-1-3-5-10/h6-8,10,15H,1-5,14H2
InChI Key:
HTARCZJZCSECCS-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)O)N)OC1CCCCC1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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