CAS
94200-99-4 Purity
96%
94200-99-4 Purity
96%
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5-(4-Methylphenyl)heptanal
CAS
94201-03-3
Catalog Number
ACM94201033
Category
Other Products
Molecular Weight
204.308000 [g/mol]
Molecular Formula
C14H20O
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Specification
Synonyms
5-(4-Methylphenyl)heptanal, EINECS 303-584-8, CID3023975, 94201-03-3
IUPAC Name
5-(4-methylphenyl)heptanal
Canonical SMILES
CCC(CCCC=O)C1=CC=C(C=C1)C
InChI Key
ZLJBIAXKACXRHZ-UHFFFAOYSA-N
Boiling Point
309.5ºC at 760mmHg
Flash Point
148ºC
Density
0.932g/cm³
EC Number
303-584-8
Exact Mass
204.15100
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 5-(4-Methylphenyl)heptanal?
The molecular formula is C14H20O.
When was the compound created and last modified in PubChem?
The compound was created in 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of 5-(4-Methylphenyl)heptanal?
The IUPAC name is 5-(4-methylphenyl)heptanal.
What is the InChIKey of the compound?
The InChIKey is ZLJBIAXKACXRHZ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass is 204.151415257 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.7.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
How many defined atom stereocenter counts does the compound have?
The compound has 0 defined atom stereocenter counts.
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