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13076-16-9 | Cyclohexanecarboxaldehyde, 3-methyl-
CAS No: 13076-16-9 Catalog No: AG000UXV MDL No:MFCD20281401
Product Description
Catalog Number:
AG000UXV
Chemical Name:
Cyclohexanecarboxaldehyde, 3-methyl-
CAS Number:
13076-16-9
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD20281401
IUPAC Name:
3-methylcyclohexane-1-carbaldehyde
InChI:
InChI=1S/C8H14O/c1-7-3-2-4-8(5-7)6-9/h6-8H,2-5H2,1H3
InChI Key:
VKKKNBBQMSBFCV-UHFFFAOYSA-N
SMILES:
O=CC1CCCC(C1)C
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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