Home Other Building Blocks 2,3-dihydro-1,4-benzoxathiin-2-ylmethanol

2,3-dihydro-1,4-benzoxathiin-2-ylmethanol

CAS No.:
35143-11-4
Catalog Number:
AG01A7SV
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
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Product Description
Catalog Number:
AG01A7SV
Chemical Name:
2,3-dihydro-1,4-benzoxathiin-2-ylmethanol
CAS Number:
35143-11-4
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD15209552
IUPAC Name:
2,3-dihydro-1,4-benzoxathiin-2-ylmethanol
InChI:
InChI=1S/C9H10O2S/c10-5-7-6-12-9-4-2-1-3-8(9)11-7/h1-4,7,10H,5-6H2
InChI Key:
CHVOMUACRIMGII-UHFFFAOYSA-N
SMILES:
OCC1CSc2c(O1)cccc2
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties