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Home > Nitro Compounds > 71466-55-2
71466-55-2 | 3-Nitro-5-(tricyclo[3.3.1.13,7]decan-1-yl)benzoic acid methyl ester
CAS No: 71466-55-2 Catalog No: AG00FUOM MDL No:
Product Description
Catalog Number:
AG00FUOM
Chemical Name:
3-Nitro-5-(tricyclo[3.3.1.13,7]decan-1-yl)benzoic acid methyl ester
CAS Number:
71466-55-2
IUPAC Name:
methyl 3-(1-adamantyl)-5-nitrobenzoate
InChI:
InChI=1S/C18H21NO4/c1-23-17(20)14-5-15(7-16(6-14)19(21)22)18-8-11-2-12(9-18)4-13(3-11)10-18/h5-7,11-13H,2-4,8-10H2,1H3
InChI Key:
WGZHBTDCEKFGMC-UHFFFAOYSA-N
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.369g/mol
Monoisotopic Mass:
315.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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