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146796-06-7 | 2H-Thieno[3,4-b][1,4]dioxepin-3-ol, 3,4-dihydro-
CAS No: 146796-06-7 Catalog No: AG001ECD MDL No:
Product Description
Catalog Number:
AG001ECD
Chemical Name:
2H-Thieno[3,4-b][1,4]dioxepin-3-ol, 3,4-dihydro-
CAS Number:
146796-06-7
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
IUPAC Name:
3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-3-ol
InChI:
InChI=1S/C7H8O3S/c8-5-1-9-6-3-11-4-7(6)10-2-5/h3-5,8H,1-2H2
InChI Key:
NDVHIVXONKKUGA-UHFFFAOYSA-N
SMILES:
OC1COc2c(OC1)csc2
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.198g/mol
Monoisotopic Mass:
172.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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