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73345-01-4 | 2H-1-Benzoxocin-2-one, 3,4,5,6-tetrahydro-
CAS No: 73345-01-4 Catalog No: AG005EN3 MDL No:MFCD18450432
Product Description
Catalog Number:
AG005EN3
Chemical Name:
2H-1-Benzoxocin-2-one, 3,4,5,6-tetrahydro-
CAS Number:
73345-01-4
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD18450432
IUPAC Name:
3,4,5,6-tetrahydro-1-benzoxocin-2-one
InChI:
InChI=1S/C11H12O2/c12-11-8-4-2-6-9-5-1-3-7-10(9)13-11/h1,3,5,7H,2,4,6,8H2
InChI Key:
KBAWMJSCMJPGMJ-UHFFFAOYSA-N
SMILES:
O=C1CCCCc2c(O1)cccc2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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