sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 1-Benzyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate

1-Benzyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate

CAS No.:
31696-09-0
Catalog Number:
AG003Q0O
Molecular Formula:
C17H21NO5
Molecular Weight:
319.3523
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$100
- +
5g
95%
In Stock USA
United States
$300
- +
10g
95%
In Stock USA
United States
$525
- +
25g
95%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG003Q0O
Chemical Name:
1-Benzyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate
CAS Number:
31696-09-0
Molecular Formula:
C17H21NO5
Molecular Weight:
319.3523
MDL Number:
MFCD17926218
IUPAC Name:
1-O-benzyl 4-O-ethyl 5-oxoazepane-1,4-dicarboxylate
InChI:
InChI=1S/C17H21NO5/c1-2-22-16(20)14-8-10-18(11-9-15(14)19)17(21)23-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChI Key:
YMPFJXQFTCDJOB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(CCC1=O)C(=O)OCc1ccccc1
Properties
Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.142g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.357g/mol
Monoisotopic Mass:
319.142g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties