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7702-30-9 | ETHYL 2-(AZEPAN-1-YL)PROPANOATE
CAS No: 7702-30-9 Catalog No: AG005EQ5 MDL No:
Product Description
Catalog Number:
AG005EQ5
Chemical Name:
ETHYL 2-(AZEPAN-1-YL)PROPANOATE
CAS Number:
7702-30-9
Molecular Formula:
C11H21NO2
Molecular Weight:
199.2899
IUPAC Name:
ethyl 2-(azepan-1-yl)propanoate
InChI:
InChI=1S/C11H21NO2/c1-3-14-11(13)10(2)12-8-6-4-5-7-9-12/h10H,3-9H2,1-2H3
InChI Key:
ITTOPIJVHLMAJK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(N1CCCCCC1)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.294g/mol
Monoisotopic Mass:
199.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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