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88357-10-2

88357-10-2 | Propanoic acid, 3-[(4-formylphenyl)thio]-

CAS No: 88357-10-2 Catalog No: AG0045OO MDL No:

Product Description

Catalog Number:
AG0045OO
Chemical Name:
Propanoic acid, 3-[(4-formylphenyl)thio]-
CAS Number:
88357-10-2
Molecular Formula:
C10H10O3S
Molecular Weight:
210.2496
IUPAC Name:
3-(4-formylphenyl)sulfanylpropanoic acid
InChI:
InChI=1S/C10H10O3S/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13/h1-4,7H,5-6H2,(H,12,13)
InChI Key:
IHESWXJZBUNRHW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)SCCC(=O)O

Properties

Complexity:
198  
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:
5  
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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