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2525-16-8 | 7-Methoxy-3,4,5,6-tetrahydro-2H-azepine
CAS No: 2525-16-8 Catalog No: AG003NG1 MDL No:MFCD00006938
Product Description
Catalog Number:
AG003NG1
Chemical Name:
7-Methoxy-3,4,5,6-tetrahydro-2H-azepine
CAS Number:
2525-16-8
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD00006938
IUPAC Name:
7-methoxy-3,4,5,6-tetrahydro-2H-azepine
InChI:
InChI=1S/C7H13NO/c1-9-7-5-3-2-4-6-8-7/h2-6H2,1H3
InChI Key:
DNXIQMQGKSQHPC-UHFFFAOYSA-N
SMILES:
COC1=NCCCCC1
EC Number:
219-762-2
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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