Home Other Building Blocks 2-(2,3-dihydro-1,4-benzoxathiin-2-yl)acetic acid

2-(2,3-dihydro-1,4-benzoxathiin-2-yl)acetic acid

CAS No.:
62591-01-9
Catalog Number:
AG01C20A
Molecular Formula:
C10H10O3S
Molecular Weight:
210.2496
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Product Description
Catalog Number:
AG01C20A
Chemical Name:
2-(2,3-dihydro-1,4-benzoxathiin-2-yl)acetic acid
CAS Number:
62591-01-9
Molecular Formula:
C10H10O3S
Molecular Weight:
210.2496
MDL Number:
MFCD24484125
IUPAC Name:
2-(2,3-dihydro-1,4-benzoxathiin-2-yl)acetic acid
InChI:
InChI=1S/C10H10O3S/c11-10(12)5-7-6-14-9-4-2-1-3-8(9)13-7/h1-4,7H,5-6H2,(H,11,12)
InChI Key:
SCDRFFVQCMNORR-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CSc2c(O1)cccc2
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.247g/mol
Monoisotopic Mass:
210.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties