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4179-19-5 | 1,3-Dimethoxy-5-methylbenzene
CAS No: 4179-19-5 Catalog No: AG003IO8 MDL No:MFCD00015435
Product Description
Catalog Number:
AG003IO8
Chemical Name:
1,3-Dimethoxy-5-methylbenzene
CAS Number:
4179-19-5
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD00015435
IUPAC Name:
1,3-dimethoxy-5-methylbenzene
InChI:
InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3
InChI Key:
RIZBLVRXRWHLFA-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)C
EC Number:
224-048-9
NSC Number:
72352
Properties
Complexity:
102
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:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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