Home Other Building Blocks (1,4-Oxazepan-2-yl)methanol

(1,4-Oxazepan-2-yl)methanol

CAS No.:
1207254-23-6
Catalog Number:
AG003F2O
Molecular Formula:
C6H13NO2
Molecular Weight:
131.1729
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Product Description
Catalog Number:
AG003F2O
Chemical Name:
(1,4-Oxazepan-2-yl)methanol
CAS Number:
1207254-23-6
Molecular Formula:
C6H13NO2
Molecular Weight:
131.1729
MDL Number:
MFCD18071030
IUPAC Name:
1,4-oxazepan-2-ylmethanol
InChI:
InChI=1S/C6H13NO2/c8-5-6-4-7-2-1-3-9-6/h6-8H,1-5H2
InChI Key:
NOMOXHNWEMMVCR-UHFFFAOYSA-N
SMILES:
OCC1CNCCCO1
Properties
Complexity:
77.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.095g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
131.175g/mol
Monoisotopic Mass:
131.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties