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835613-71-3 | Furo[3,2-c]oxepin-4(2H)-one, 2,2-diethyl-3,6,7,8-tetrahydro-
CAS No: 835613-71-3 Catalog No: AG004ZGM MDL No:
Product Description
Catalog Number:
AG004ZGM
Chemical Name:
Furo[3,2-c]oxepin-4(2H)-one, 2,2-diethyl-3,6,7,8-tetrahydro-
CAS Number:
835613-71-3
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
2,2-diethyl-3,6,7,8-tetrahydrofuro[3,2-c]oxepin-4-one
InChI:
InChI=1S/C12H18O3/c1-3-12(4-2)8-9-10(15-12)6-5-7-14-11(9)13/h3-8H2,1-2H3
InChI Key:
RNOUTRPZWIXOHO-UHFFFAOYSA-N
SMILES:
CCC1(CC)OC2=C(C1)C(=O)OCCC2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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