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113734-66-0 | Cyclotetradecanecarboxylic acid, 2-hydroxy-5-nitro-, methyl ester
CAS No: 113734-66-0 Catalog No: AG0009I3 MDL No:
Product Description
Catalog Number:
AG0009I3
Chemical Name:
Cyclotetradecanecarboxylic acid, 2-hydroxy-5-nitro-, methyl ester
CAS Number:
113734-66-0
Molecular Formula:
C16H29NO5
Molecular Weight:
315.4052
IUPAC Name:
methyl 2-hydroxy-5-nitrocyclotetradecane-1-carboxylate
InChI:
InChI=1S/C16H29NO5/c1-22-16(19)14-10-8-6-4-2-3-5-7-9-13(17(20)21)11-12-15(14)18/h13-15,18H,2-12H2,1H3
InChI Key:
ADSBEYPIIMAOPU-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCCCCCCCC(CCC1O)[N+](=O)[O-]
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.205g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.41g/mol
Monoisotopic Mass:
315.205g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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