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18850-48-1 | butanoic acid, 4-[(4-methylphenyl)thio]-
CAS No: 18850-48-1 Catalog No: AG002GYN MDL No:MFCD09810322
Product Description
Catalog Number:
AG002GYN
Chemical Name:
butanoic acid, 4-[(4-methylphenyl)thio]-
CAS Number:
18850-48-1
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
MDL Number:
MFCD09810322
IUPAC Name:
4-(4-methylphenyl)sulfanylbutanoic acid
InChI:
InChI=1S/C11H14O2S/c1-9-4-6-10(7-5-9)14-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
InChI Key:
HGFAYEMEDMUNOS-UHFFFAOYSA-N
SMILES:
OC(=O)CCCSc1ccc(cc1)C
NSC Number:
125379
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.291g/mol
Monoisotopic Mass:
210.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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