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840488-62-2 | Butanedioic acid, mono[1-(formylamino)ethyl] ester
CAS No: 840488-62-2 Catalog No: AG004U5W MDL No:
Product Description
Catalog Number:
AG004U5W
Chemical Name:
Butanedioic acid, mono[1-(formylamino)ethyl] ester
CAS Number:
840488-62-2
Molecular Formula:
C7H10NO5-
Molecular Weight:
188.1580
IUPAC Name:
4-(1-formamidoethoxy)-4-oxobutanoate
InChI:
InChI=1S/C7H11NO5/c1-5(8-4-9)13-7(12)3-2-6(10)11/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)/p-1
InChI Key:
GQWTXEQVENNTKV-UHFFFAOYSA-M
SMILES:
O=CNC(OC(=O)CCC(=O)[O-])C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.056g/mol
Formal Charge:
-1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.159g/mol
Monoisotopic Mass:
188.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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