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821801-02-9 | Butanamide, N-[(1S,2S)-2-hydroxycycloheptyl]-
CAS No: 821801-02-9 Catalog No: AG0050JS MDL No:
Product Description
Catalog Number:
AG0050JS
Chemical Name:
Butanamide, N-[(1S,2S)-2-hydroxycycloheptyl]-
CAS Number:
821801-02-9
Molecular Formula:
C11H21NO2
Molecular Weight:
199.2899
IUPAC Name:
N-[(1S,2S)-2-hydroxycycloheptyl]butanamide
InChI:
InChI=1S/C11H21NO2/c1-2-6-11(14)12-9-7-4-3-5-8-10(9)13/h9-10,13H,2-8H2,1H3,(H,12,14)/t9-,10-/m0/s1
InChI Key:
SBJXTIDWNYKWKG-UWVGGRQHSA-N
SMILES:
CCCC(=O)N[C@H]1CCCCC[C@@H]1O
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
199.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.294g/mol
Monoisotopic Mass:
199.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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