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116445-12-6 | 4-Cyclopentene-1,2,3-trione, 4-(dimethylamino)-5-methoxy-
CAS No: 116445-12-6 Catalog No: AG000CIQ MDL No:
Product Description
Catalog Number:
AG000CIQ
Chemical Name:
4-Cyclopentene-1,2,3-trione, 4-(dimethylamino)-5-methoxy-
CAS Number:
116445-12-6
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
IUPAC Name:
4-(dimethylamino)-5-methoxycyclopent-4-ene-1,2,3-trione
InChI:
InChI=1S/C8H9NO4/c1-9(2)4-5(10)6(11)7(12)8(4)13-3/h1-3H3
InChI Key:
DMRYUAYLRWKNMQ-UHFFFAOYSA-N
SMILES:
COC1=C(N(C)C)C(=O)C(=O)C1=O
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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