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2764-91-2

2764-91-2 | 1,2-Benzenediol, 3-(8-pentadecen-1-yl)-

CAS No: 2764-91-2 Catalog No: AG002UBG MDL No:

Product Description

Catalog Number:
AG002UBG
Chemical Name:
1,2-Benzenediol, 3-(8-pentadecen-1-yl)-
CAS Number:
2764-91-2
Molecular Formula:
C21H34O2
Molecular Weight:
318.4935
IUPAC Name:
3-[(E)-pentadec-8-enyl]benzene-1,2-diol
InChI:
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h7-8,15,17-18,22-23H,2-6,9-14,16H2,1H3/b8-7+
InChI Key:
GWOCLAPCXDOJRL-BQYQJAHWSA-N
SMILES:
CCCCCCC=CCCCCCCCc1cccc(c1O)O

Properties

Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
318.256g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
318.501g/mol
Monoisotopic Mass:
318.256g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1  

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