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1546532-21-1 | 2-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YLSULFANYL)ACETALDEHYDE
CAS No: 1546532-21-1 Catalog No: AG01BIU3 MDL No:MFCD24217143
Product Description
Catalog Number:
AG01BIU3
Chemical Name:
2-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YLSULFANYL)ACETALDEHYDE
CAS Number:
1546532-21-1
Molecular Formula:
C11H12O3S
Molecular Weight:
224.2762
MDL Number:
MFCD24217143
IUPAC Name:
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetaldehyde
InChI:
InChI=1S/C11H12O3S/c12-4-7-15-9-2-3-10-11(8-9)14-6-1-5-13-10/h2-4,8H,1,5-7H2
InChI Key:
MEPJHWDYWWLYIV-UHFFFAOYSA-N
SMILES:
O=CCSc1ccc2c(c1)OCCCO2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.274g/mol
Monoisotopic Mass:
224.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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