CCCCCCC=O
CAS: 111-71-7
Название: heptanal
SMILES: CCCCCCC=O

Molecular Processing

Molecular formula
C7H14O
Molecular weight
114.19
Exact mass
114.1045
XLogP
2.16
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
34.82

Supplementary Information

InChIKey: FXHGMKSSBGDXIY-UHFFFAOYSA-N
Синонимы
HeptanalHeptaldehyde111-71-7Enanthaldehyden-HeptaldehydeEnanthalHeptyl aldehydeN-HEPTANALOenanthaldehydeHeptanaldehydeOenanthalOenantholn-HeptylaldehydeEnantholeEnanthic aldehydeOenanthic aldehydeAldehyde C-7HeptylaldehydeAldehyde C71-HeptaldehydeFEMA No. 2540DTXSID0021597n-C6H13CHO92N104S3HFNSC-2190DTXCID601597CHEBI:34787RefChem:5879203-898-41-Heptanal
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