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101447-92-1 | 1,2-Benzenediol, 4-decyl-
CAS No: 101447-92-1 Catalog No: AG0004I6 MDL No:
Product Description
Catalog Number:
AG0004I6
Chemical Name:
1,2-Benzenediol, 4-decyl-
CAS Number:
101447-92-1
Molecular Formula:
C16H26O2
Molecular Weight:
250.3764
IUPAC Name:
4-decylbenzene-1,2-diol
InChI:
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-14-11-12-15(17)16(18)13-14/h11-13,17-18H,2-10H2,1H3
InChI Key:
QSCXNINWUHBZFN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1ccc(c(c1)O)O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.193g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.382g/mol
Monoisotopic Mass:
250.193g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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