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6118-13-4

6118-13-4 | (S)-3-Buten-2-ol

CAS No: 6118-13-4 Catalog No: AG0038LT MDL No:

Product Description

Catalog Number:
AG0038LT
Chemical Name:
(S)-3-Buten-2-ol
CAS Number:
6118-13-4
Molecular Formula:
C4H8O
Molecular Weight:
72.1057
IUPAC Name:
(2S)-but-3-en-2-ol
InChI:
InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3/t4-/m0/s1
InChI Key:
MKUWVMRNQOOSAT-BYPYZUCNSA-N
SMILES:
C[C@@H](C=C)O

Properties

Complexity:
32.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
72.058g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
72.107g/mol
Monoisotopic Mass:
72.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Literature

Title Journal
Effects of intact glucosinolates and products produced from glucosinolates in myrosinase-catalyzed hydrolysis on the potato cyst nematode (Globodera rostochiensis Cv. Woll). Journal of agricultural and food chemistry 20020213

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