Home Other Building Blocks 2-(oxan-4-ylformamido)acetic acid

2-(oxan-4-ylformamido)acetic acid

CAS No.:
1042644-86-9
Catalog Number:
AG01AHAE
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
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Product Description
Catalog Number:
AG01AHAE
Chemical Name:
2-(oxan-4-ylformamido)acetic acid
CAS Number:
1042644-86-9
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
MDL Number:
MFCD11169983
IUPAC Name:
2-(oxane-4-carbonylamino)acetic acid
InChI:
InChI=1S/C8H13NO4/c10-7(11)5-9-8(12)6-1-3-13-4-2-6/h6H,1-5H2,(H,9,12)(H,10,11)
InChI Key:
SPNLQHQUMYYRHB-UHFFFAOYSA-N
SMILES:
O=C(C1CCOCC1)NCC(=O)O
Properties
Complexity:
198  
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:
3  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties