CAS
94135-81-6 Purity
96%
94135-81-6 Purity
96%
![1-Decyl 2-[[1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoate](https://resource.alfa-chemistry.com/structure/94135-83-8.gif)
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3-[p-(Hexyloxy)phenyl]propionic anhydride
CAS
94135-92-9
Catalog Number
ACM94135929
Category
Other Products
Molecular Weight
482.651480 [g/mol]
Molecular Formula
C30H42O5
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Specification
Synonyms
EINECS 302-964-0, 3-(p-(Hexyloxy)phenyl)propionic anhydride, 94135-92-9
IUPAC Name
3-(4-hexoxyphenyl)propanoyl 3-(4-hexoxyphenyl)propanoate
Canonical SMILES
CCCCCCOC1=CC=C(C=C1)CCC(=O)OC(=O)CCC2=CC=C(C=C2)OCCCCCC
InChI Key
KTQVDAHKSPSSLP-UHFFFAOYSA-N
Boiling Point
412.2ºC at 760mmHg
Flash Point
178.3ºC
Density
1.037g/cm³
EC Number
302-964-0
Exact Mass
482.30300
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 3-[p-(Hexyloxy)phenyl]propionic anhydride?
The molecular formula is C30H42O5.
When was the compound created and last modified?
The compound was created on 2007-12-05 and last modified on 2023-12-30.
What is the IUPAC Name of 3-[p-(Hexyloxy)phenyl]propionic anhydride?
The IUPAC Name is 3-(4-hexoxyphenyl)propanoyl or 3-(4-hexoxyphenyl)propanoate.
What is the InChI of 3-[p-(Hexyloxy)phenyl]propionic anhydride?
The InChI is InChI=1S/C30H42O5/c1-3-5-7-9-23-33-27-17-11-25(12-18-27)15-21-29(31)35-30(32)22-16-26-13-19-28(20-14-26)34-24-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-24H2,1-2H3.
What is the Canonical SMILES of 3-[p-(Hexyloxy)phenyl]propionic anhydride?
The Canonical SMILES is CCCCCCOC1=CC=C(C=C1)CCC(=O)OC(=O)CCC2=CC=C(C=C2)OCCCCCC.
What is the molecular weight of 3-[p-(Hexyloxy)phenyl]propionic anhydride?
The molecular weight is 482.6 g/mol.
How many hydrogen bond donor counts does 3-[p-(Hexyloxy)phenyl]propionic anhydride have?
It has 0 hydrogen bond donor counts.
What is the exact mass of 3-[p-(Hexyloxy)phenyl]propionic anhydride?
The exact mass is 482.30322444 g/mol.
How many rotatable bond counts does 3-[p-(Hexyloxy)phenyl]propionic anhydride have?
It has 20 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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