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13757-17-0 | 1,2-Benzenediol, 3,4,6-trimethyl-
CAS No: 13757-17-0 Catalog No: AG0013KR MDL No:MFCD24714458
Product Description
Catalog Number:
AG0013KR
Chemical Name:
1,2-Benzenediol, 3,4,6-trimethyl-
CAS Number:
13757-17-0
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD24714458
IUPAC Name:
3,4,6-trimethylbenzene-1,2-diol
InChI:
InChI=1S/C9H12O2/c1-5-4-6(2)8(10)9(11)7(5)3/h4,10-11H,1-3H3
InChI Key:
NZEZVJPYSAXNTR-UHFFFAOYSA-N
SMILES:
Cc1c(C)cc(c(c1O)O)C
Properties
Complexity:
136
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:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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