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132803-81-7

132803-81-7 | 1,4-Benzenediol, 2,3-bis(3-methyl-2-buten-1-yl)-

CAS No: 132803-81-7 Catalog No: AG00116Z MDL No:

Product Description

Catalog Number:
AG00116Z
Chemical Name:
1,4-Benzenediol, 2,3-bis(3-methyl-2-buten-1-yl)-
CAS Number:
132803-81-7
Molecular Formula:
C16H22O2
Molecular Weight:
246.3447
IUPAC Name:
2,3-bis(3-methylbut-2-enyl)benzene-1,4-diol
InChI:
InChI=1S/C16H22O2/c1-11(2)5-7-13-14(8-6-12(3)4)16(18)10-9-15(13)17/h5-6,9-10,17-18H,7-8H2,1-4H3
InChI Key:
DFBNFGYSBLAXHH-UHFFFAOYSA-N
SMILES:
CC(=CCc1c(O)ccc(c1CC=C(C)C)O)C

Properties

Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.162g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
246.35g/mol
Monoisotopic Mass:
246.162g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

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