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864754-49-4 | 3-Azabicyclo[4.1.0]heptane-7-carboxylicacid, 3-methyl-, ethyl ester, (1R,6S,7R)-
CAS No: 864754-49-4 Catalog No: AG004WHK MDL No:
Product Description
Catalog Number:
AG004WHK
Chemical Name:
3-Azabicyclo[4.1.0]heptane-7-carboxylicacid, 3-methyl-, ethyl ester, (1R,6S,7R)-
CAS Number:
864754-49-4
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
IUPAC Name:
ethyl 3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylate
InChI:
InChI=1S/C10H17NO2/c1-3-13-10(12)9-7-4-5-11(2)6-8(7)9/h7-9H,3-6H2,1-2H3
InChI Key:
BNSYTVZKKXUTTJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C2C1CCN(C2)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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