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3613-30-7 | 7-Methoxy-3,7-dimethyloctanal
CAS No: 3613-30-7 Catalog No: AG003NG3 MDL No:MFCD00007015
Product Description
Catalog Number:
AG003NG3
Chemical Name:
7-Methoxy-3,7-dimethyloctanal
CAS Number:
3613-30-7
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
MDL Number:
MFCD00007015
IUPAC Name:
7-methoxy-3,7-dimethyloctanal
InChI:
InChI=1S/C11H22O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h9-10H,5-8H2,1-4H3
InChI Key:
IDWULKZGRNHZNR-UHFFFAOYSA-N
SMILES:
O=CCC(CCCC(OC)(C)C)C
EC Number:
222-784-5
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.162g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.295g/mol
Monoisotopic Mass:
186.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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