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6745-75-1 | 2,5-Dimethyl-4-methoxybenzaldehyde
CAS No: 6745-75-1 Catalog No: AG00330I MDL No:MFCD00003343
Product Description
Catalog Number:
AG00330I
Chemical Name:
2,5-Dimethyl-4-methoxybenzaldehyde
CAS Number:
6745-75-1
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00003343
IUPAC Name:
4-methoxy-2,5-dimethylbenzaldehyde
InChI:
InChI=1S/C10H12O2/c1-7-5-10(12-3)8(2)4-9(7)6-11/h4-6H,1-3H3
InChI Key:
KYHULTSMPDXSLR-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1C)C=O
EC Number:
229-807-8
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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