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7721-62-2 | 4,5-dimethoxy-2-methyl-benzaldehyde
CAS No: 7721-62-2 Catalog No: AG00553Z MDL No:MFCD00094433
Product Description
Catalog Number:
AG00553Z
Chemical Name:
4,5-dimethoxy-2-methyl-benzaldehyde
CAS Number:
7721-62-2
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00094433
IUPAC Name:
4,5-dimethoxy-2-methylbenzaldehyde
InChI:
InChI=1S/C10H12O3/c1-7-4-9(12-2)10(13-3)5-8(7)6-11/h4-6H,1-3H3
InChI Key:
RMIZEUOAFVZZJG-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(cc1OC)C
EC Number:
231-759-8
NSC Number:
109346
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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