CAS
91988-52-2 Purity
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91988-52-2 Purity
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5-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one
CAS
91990-66-8
Catalog Number
ACM91990668
Category
Other Products
Molecular Weight
266.422200 [g/mol]
Molecular Formula
C16H30N2O
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Specification
Synonyms
EINECS 295-249-7, CID3045293, 5-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one, 91990-66-8
IUPAC Name
3-heptyl-4-hexyl-1,4-dihydropyrazol-5-one
Canonical SMILES
CCCCCCCC1=NNC(=O)C1CCCCCC
InChI Key
VKGWBSIXRRRLPD-UHFFFAOYSA-N
Density
0.99g/cm³
EC Number
295-249-7
Exact Mass
266.23600
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of 5-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula is C16H30N2O.
What is the molecular weight of 5-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight is 266.42 g/mol.
What is the IUPAC name of 5-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one?
The IUPAC name is 3-heptyl-4-hexyl-1,4-dihydropyrazol-5-one.
What is the InChIKey of 5-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one?
The InChIKey is VKGWBSIXRRRLPD-UHFFFAOYSA-N.
What is the canonical SMILES representation of 5-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one?
The canonical SMILES is CCCCCCCC1=NNC(=O)C1CCCCCC.
What is the CAS number for 5-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number is 91990-66-8.
How many hydrogen bond donor counts does 5-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one have?
It has 1 hydrogen bond donor count.
How many rotatable bond counts does 5-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one have?
It has 11 rotatable bond counts.
What is the exact mass of 5-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one?
The exact mass is 266.235813585 g/mol.
Is 5-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one a canonicalized compound?
Yes, it is a canonicalized compound.
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