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78238-02-5 | 1,3-Benzenediol,4-methoxy-6-methyl-
CAS No: 78238-02-5 Catalog No: AG005CHA MDL No:
Product Description
Catalog Number:
AG005CHA
Chemical Name:
1,3-Benzenediol,4-methoxy-6-methyl-
CAS Number:
78238-02-5
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
IUPAC Name:
4-methoxy-6-methylbenzene-1,3-diol
InChI:
InChI=1S/C8H10O3/c1-5-3-8(11-2)7(10)4-6(5)9/h3-4,9-10H,1-2H3
InChI Key:
JUVBQNZOSSOEHM-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1O)O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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