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114640-37-8 | 2-Furancarboxylic acid, 4-aminotetrahydro-2-methyl-5-oxo- (9CI)
CAS No: 114640-37-8 Catalog No: AG000EWR MDL No:
Product Description
Catalog Number:
AG000EWR
Chemical Name:
2-Furancarboxylic acid, 4-aminotetrahydro-2-methyl-5-oxo- (9CI)
CAS Number:
114640-37-8
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
IUPAC Name:
4-amino-2-methyl-5-oxooxolane-2-carboxylic acid
InChI:
InChI=1S/C6H9NO4/c1-6(5(9)10)2-3(7)4(8)11-6/h3H,2,7H2,1H3,(H,9,10)
InChI Key:
DQPYVGVLVDNBCQ-UHFFFAOYSA-N
SMILES:
O=C1OC(CC1N)(C)C(=O)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.141g/mol
Monoisotopic Mass:
159.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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