CAS
97889-89-9 Purity
96%
97889-89-9 Purity
96%
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p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate
CAS
97889-93-5
Catalog Number
ACM97889935
Category
Other Products
Molecular Weight
256.296440 [g/mol]
Molecular Formula
C16H16O3
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Specification
Synonyms
EINECS 308-172-1, CID113455, p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate, 97889-93-5
IUPAC Name
[4-(2-phenylpropan-2-yl)phenyl] hydrogen carbonate
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)O
InChI Key
UGKSTGOPBDJAGS-UHFFFAOYSA-N
Boiling Point
390.6ºC at 760mmHg
Flash Point
142.2ºC
Density
1.157g/cm³
EC Number
308-172-1
Exact Mass
256.11000
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate?
The molecular formula is C16H16O3.
When was p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate created in PubChem?
It was created on August 8, 2005.
What is the IUPAC name of p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate?
The IUPAC name is [4-(2-phenylpropan-2-yl)phenyl] hydrogen carbonate.
What is the Canonical SMILES representation of p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate?
The Canonical SMILES is CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)O.
What is the InChIKey of p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate?
The InChIKey is UGKSTGOPBDJAGS-UHFFFAOYSA-N.
What is the molecular weight of p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate?
The molecular weight is 256.30 g/mol.
How many hydrogen bond donor counts does p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate?
The XLogP3-AA value is 4.5.
What is the topological polar surface area of p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate?
The topological polar surface area is 46.5 Å2.
Is p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate considered canonicalized in PubChem?
Yes, it is considered canonicalized.
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