Home Carboxys 2-(carbamoylmethyl)furan-3-carboxylic acid

2-(carbamoylmethyl)furan-3-carboxylic acid

CAS No.:
1803611-24-6
Catalog Number:
AG01B8BR
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
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Product Description
Catalog Number:
AG01B8BR
Chemical Name:
2-(carbamoylmethyl)furan-3-carboxylic acid
CAS Number:
1803611-24-6
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD28397367
IUPAC Name:
2-(2-amino-2-oxoethyl)furan-3-carboxylic acid
InChI:
InChI=1S/C7H7NO4/c8-6(9)3-5-4(7(10)11)1-2-12-5/h1-2H,3H2,(H2,8,9)(H,10,11)
InChI Key:
GTZGJWKQSSXDKW-UHFFFAOYSA-N
SMILES:
NC(=O)Cc1occc1C(=O)O
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties