Home Other Building Blocks 2-(2,3-dioxoazepan-1-yl)acetic acid

2-(2,3-dioxoazepan-1-yl)acetic acid

CAS No.:
2092689-41-1
Catalog Number:
AG01BS3M
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
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Product Description
Catalog Number:
AG01BS3M
Chemical Name:
2-(2,3-dioxoazepan-1-yl)acetic acid
CAS Number:
2092689-41-1
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
MDL Number:
MFCD30749964
IUPAC Name:
2-(2,3-dioxoazepan-1-yl)acetic acid
InChI:
InChI=1S/C8H11NO4/c10-6-3-1-2-4-9(8(6)13)5-7(11)12/h1-5H2,(H,11,12)
InChI Key:
KKMFHNHIOLXOEE-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCCCC(=O)C1=O
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.179g/mol
Monoisotopic Mass:
185.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties