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100668-21-1

100668-21-1 | 1,2-Benzenediol, 4-(1-hexen-1-yl)-

CAS No: 100668-21-1 Catalog No: AG0002LF MDL No:

Product Description

Catalog Number:
AG0002LF
Chemical Name:
1,2-Benzenediol, 4-(1-hexen-1-yl)-
CAS Number:
100668-21-1
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
4-hex-1-enylbenzene-1,2-diol
InChI:
InChI=1S/C12H16O2/c1-2-3-4-5-6-10-7-8-11(13)12(14)9-10/h5-9,13-14H,2-4H2,1H3
InChI Key:
NRJONEZFCZVLLI-UHFFFAOYSA-N
SMILES:
CCCCC=Cc1ccc(c(c1)O)O

Properties

Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.8  

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