Home Other Building Blocks 2-(2-oxoazepan-3-yl)acetic acid

2-(2-oxoazepan-3-yl)acetic acid

CAS No.:
827-67-8
Catalog Number:
AG01B7WV
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
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Product Description
Catalog Number:
AG01B7WV
Chemical Name:
2-(2-oxoazepan-3-yl)acetic acid
CAS Number:
827-67-8
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD20647351
IUPAC Name:
2-(2-oxoazepan-3-yl)acetic acid
InChI:
InChI=1S/C8H13NO3/c10-7(11)5-6-3-1-2-4-9-8(6)12/h6H,1-5H2,(H,9,12)(H,10,11)
InChI Key:
KDKKRNOYSMNNJF-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCCNC1=O
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties