Home Other Building Blocks 2-(3-hydroxy-2-oxoazepan-1-yl)acetic acid

2-(3-hydroxy-2-oxoazepan-1-yl)acetic acid

CAS No.:
1936187-00-6
Catalog Number:
AG01C4EZ
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
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Product Description
Catalog Number:
AG01C4EZ
Chemical Name:
2-(3-hydroxy-2-oxoazepan-1-yl)acetic acid
CAS Number:
1936187-00-6
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
MDL Number:
MFCD30535586
IUPAC Name:
2-(3-hydroxy-2-oxoazepan-1-yl)acetic acid
InChI:
InChI=1S/C8H13NO4/c10-6-3-1-2-4-9(8(6)13)5-7(11)12/h6,10H,1-5H2,(H,11,12)
InChI Key:
HZWHOXKTCSOLBB-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCCCC(C1=O)O
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties