Home Other Building Blocks 4-heptylsulfanylbenzoic acid

4-heptylsulfanylbenzoic acid

CAS No.:
32910-58-0
Catalog Number:
AG01DTEW
Molecular Formula:
C14H20O2S
Molecular Weight:
252.3724
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Product Description
Catalog Number:
AG01DTEW
Chemical Name:
4-heptylsulfanylbenzoic acid
CAS Number:
32910-58-0
Molecular Formula:
C14H20O2S
Molecular Weight:
252.3724
MDL Number:
MFCD11197854
IUPAC Name:
4-heptylsulfanylbenzoic acid
InChI:
InChI=1S/C14H20O2S/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3,(H,15,16)
InChI Key:
LFIZZGOLWFBCNM-UHFFFAOYSA-N
SMILES:
CCCCCCCSc1ccc(cc1)C(=O)O
NSC Number:
138409
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.118g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.372g/mol
Monoisotopic Mass:
252.118g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties