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101459-67-0 | 1,4-Benzenediol, 2-(1-methyl-2-propen-1-yl)-
CAS No: 101459-67-0 Catalog No: AG0004IX MDL No:
Product Description
Catalog Number:
AG0004IX
Chemical Name:
1,4-Benzenediol, 2-(1-methyl-2-propen-1-yl)-
CAS Number:
101459-67-0
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
2-but-3-en-2-ylbenzene-1,4-diol
InChI:
InChI=1S/C10H12O2/c1-3-7(2)9-6-8(11)4-5-10(9)12/h3-7,11-12H,1H2,2H3
InChI Key:
NMVSKUAVZUHMLP-UHFFFAOYSA-N
SMILES:
CC(c1cc(O)ccc1O)C=C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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