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Home > Other Heterocycles > 1218179-30-6
1218179-30-6 | 2-{bicyclo[2.2.1]heptane-2-amido}-5-methylbenzoic acid
CAS No: 1218179-30-6 Catalog No: AG01ABWX MDL No:MFCD13366054
Product Description
Catalog Number:
AG01ABWX
Chemical Name:
2-{bicyclo[2.2.1]heptane-2-amido}-5-methylbenzoic acid
CAS Number:
1218179-30-6
Molecular Formula:
C16H19NO3
Molecular Weight:
273.3270
MDL Number:
MFCD13366054
IUPAC Name:
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-5-methylbenzoic acid
InChI:
InChI=1S/C16H19NO3/c1-9-2-5-14(13(6-9)16(19)20)17-15(18)12-8-10-3-4-11(12)7-10/h2,5-6,10-12H,3-4,7-8H2,1H3,(H,17,18)(H,19,20)
InChI Key:
FVJCXKNWBYJBCE-UHFFFAOYSA-N
SMILES:
O=C(C1CC2CC1CC2)Nc1ccc(cc1C(=O)O)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.332g/mol
Monoisotopic Mass:
273.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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