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138762-99-9 | 3-Cyclobutene-1,2-dione, 3-amino-4-(pentyloxy)-
CAS No: 138762-99-9 Catalog No: AG0019HF MDL No:
Product Description
Catalog Number:
AG0019HF
Chemical Name:
3-Cyclobutene-1,2-dione, 3-amino-4-(pentyloxy)-
CAS Number:
138762-99-9
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
3-amino-4-pentoxycyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C9H13NO3/c1-2-3-4-5-13-9-6(10)7(11)8(9)12/h2-5,10H2,1H3
InChI Key:
MVSRDRZSXKVQLY-UHFFFAOYSA-N
SMILES:
CCCCCOC1=C(N)C(=O)C1=O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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