Home Other Building Blocks 2-(7-oxoazepan-2-yl)acetic acid

2-(7-oxoazepan-2-yl)acetic acid

CAS No.:
199436-36-7
Catalog Number:
AG01B7TG
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
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Product Description
Catalog Number:
AG01B7TG
Chemical Name:
2-(7-oxoazepan-2-yl)acetic acid
CAS Number:
199436-36-7
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD20621119
IUPAC Name:
2-(7-oxoazepan-2-yl)acetic acid
InChI:
InChI=1S/C8H13NO3/c10-7-4-2-1-3-6(9-7)5-8(11)12/h6H,1-5H2,(H,9,10)(H,11,12)
InChI Key:
MLYVSXUFKSLCGA-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCCC(=O)N1
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