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

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

CAS No.:
1936615-59-6
Catalog Number:
AG01C4EY
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
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Product Description
Catalog Number:
AG01C4EY
Chemical Name:
2-(3-methoxy-2-oxoazepan-1-yl)acetic acid
CAS Number:
1936615-59-6
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
MDL Number:
MFCD30537696
IUPAC Name:
2-(3-methoxy-2-oxoazepan-1-yl)acetic acid
InChI:
InChI=1S/C9H15NO4/c1-14-7-4-2-3-5-10(9(7)13)6-8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChI Key:
ISYSCSBKYZLJOI-UHFFFAOYSA-N
SMILES:
COC1CCCCN(C1=O)CC(=O)O
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties