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58604-64-1 | 1-methylcycloheptane-1-carbaldehyde
CAS No: 58604-64-1 Catalog No: AG01A5K4 MDL No:MFCD24679818
Product Description
Catalog Number:
AG01A5K4
Chemical Name:
1-methylcycloheptane-1-carbaldehyde
CAS Number:
58604-64-1
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD24679818
IUPAC Name:
1-methylcycloheptane-1-carbaldehyde
InChI:
InChI=1S/C9H16O/c1-9(8-10)6-4-2-3-5-7-9/h8H,2-7H2,1H3
InChI Key:
UMSZWTBBBMGEAE-UHFFFAOYSA-N
SMILES:
O=CC1(C)CCCCCC1
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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