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Home > Other Building Blocks > 1071594-49-4
1071594-49-4 | 4-Methoxy-hexahydro-1H-az...
CAS No: 1071594-49-4 Catalog No: AG00998Q MDL No:MFCD21641983
Product Description
Catalog Number:
AG00998Q
Chemical Name:
4-Methoxy-hexahydro-1H-az...
CAS Number:
1071594-49-4
Molecular Formula:
C7H15NO
Molecular Weight:
129.2001
MDL Number:
MFCD21641983
IUPAC Name:
4-methoxyazepane
InChI:
InChI=1S/C7H15NO/c1-9-7-3-2-5-8-6-4-7/h7-8H,2-6H2,1H3
InChI Key:
MBGKJOCBUBJWCC-UHFFFAOYSA-N
SMILES:
COC1CCNCCC1
Properties
Complexity:
75.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.115g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.203g/mol
Monoisotopic Mass:
129.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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