Home Carboxys 7-oxoazepane-2-carboxylic acid

7-oxoazepane-2-carboxylic acid

CAS No.:
14668-76-9
Catalog Number:
AG00J7VG
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
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Product Description
Catalog Number:
AG00J7VG
Chemical Name:
7-oxoazepane-2-carboxylic acid
CAS Number:
14668-76-9
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
MDL Number:
MFCD19382163
IUPAC Name:
7-oxoazepane-2-carboxylic acid
InChI:
InChI=1S/C7H11NO3/c9-6-4-2-1-3-5(8-6)7(10)11/h5H,1-4H2,(H,8,9)(H,10,11)
InChI Key:
PKCIDMQPMJHMGR-UHFFFAOYSA-N
SMILES:
O=C1CCCCC(N1)C(=O)O
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties