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3-[4-(methylsulfanyl)phenyl]propanoic acid

3-[4-(methylsulfanyl)phenyl]propanoic acid

CAS: 138485-81-1

Formula: C10H12O2S

SMILES: CSC1=CC=C(CCC(O)=O)C=C1

IUPAC: 3-[4-(methylsulfanyl)phenyl]propanoic acid

InChI: InChI=1S/C10H12O2S/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)

Composition: C (61.20%), H (6.16%), O (16.30%), S (16.34%)

Molar Mass: 196.26

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 196.0558008
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ASTVFRXZLBGVRL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.73
Topological Polar Surface Area 37.3
Polarizability 21.24
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 138485-81-1 $49.45-$124.20$49.45$124.20
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