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13331-19-6 | 1,3-Benzenediol, 2-propyl-
CAS No: 13331-19-6 Catalog No: AG0014LX MDL No:MFCD00100568
Product Description
Catalog Number:
AG0014LX
Chemical Name:
1,3-Benzenediol, 2-propyl-
CAS Number:
13331-19-6
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD00100568
IUPAC Name:
2-propylbenzene-1,3-diol
InChI:
InChI=1S/C9H12O2/c1-2-4-7-8(10)5-3-6-9(7)11/h3,5-6,10-11H,2,4H2,1H3
InChI Key:
XDCMHOFEBFTMNL-UHFFFAOYSA-N
SMILES:
CCCc1c(O)cccc1O
NSC Number:
95252
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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