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86582-31-2 | Benzaldehyde, 2-methoxy-4,5-dimethyl-
CAS No: 86582-31-2 Catalog No: AG004LEW MDL No:MFCD06247963
Product Description
Catalog Number:
AG004LEW
Chemical Name:
Benzaldehyde, 2-methoxy-4,5-dimethyl-
CAS Number:
86582-31-2
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD06247963
IUPAC Name:
2-methoxy-4,5-dimethylbenzaldehyde
InChI:
InChI=1S/C10H12O2/c1-7-4-9(6-11)10(12-3)5-8(7)2/h4-6H,1-3H3
InChI Key:
BFVZDEJGUQFXCV-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1C=O)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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