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16215-21-7 | Propanoic acid, 3-mercapto-, butyl ester
CAS No: 16215-21-7 Catalog No: AG001ST8 MDL No:MFCD00083561
Product Description
Catalog Number:
AG001ST8
Chemical Name:
Propanoic acid, 3-mercapto-, butyl ester
CAS Number:
16215-21-7
Molecular Formula:
C7H14O2S
Molecular Weight:
162.2499
MDL Number:
MFCD00083561
IUPAC Name:
butyl 3-sulfanylpropanoate
InChI:
InChI=1S/C7H14O2S/c1-2-3-5-9-7(8)4-6-10/h10H,2-6H2,1H3
InChI Key:
MGFFVSDRCRVHLC-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CCS
EC Number:
240-343-5
UNII:
XC2PI7HKOE
NSC Number:
54830
Properties
Complexity:
93.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.071g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.247g/mol
Monoisotopic Mass:
162.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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