CAS
90159-60-7 Purity
95%
90159-60-7 Purity
95%
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Benzenemethan-d-ol, a-(methyl-d3)-
CAS
90162-44-0
Catalog Number
ACM90162440
Category
Other Products
Molecular Weight
126.19
Molecular Formula
C8H6 D4 O
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Specification
Synonyms
1-Phenylethan-1,2,2,2-d4-ol, sec-Phenethyl-1,2,2,2-d4 alcohol, 589446_ALDRICH, sec-Phenethyl-|A,|A,|A,|A-d4 alcohol, sec-Phenethyl-alpha,beta,beta,beta-d4 alcohol, 90162-44-0
IUPAC Name
1,2,2,2-tetradeuterio-1-phenylethanol
Canonical SMILES
CC(C1=CC=CC=C1)O
InChI Key
WAPNOHKVXSQRPX-CWIRFKENSA-N
Boiling Point
204ºC/745 mmHg
Melting Point
19-20ºC
Flash Point
186 °F(lit.)
Density
1.045 g/mL at 25ºC
Exact Mass
126.09800
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
1
H-Bond Donor
1
Safety Description
26-39
What is the PubChem CID for Benzenemethan-d-ol, a-(methyl-d3)?
PubChem CID 15618820
What is the molecular formula of Benzenemethan-d-ol, a-(methyl-d3)?
C8H10O
What is the molecular weight of Benzenemethan-d-ol, a-(methyl-d3)?
126.19 g/mol
What is the IUPAC name of Benzenemethan-d-ol, a-(methyl-d3)?
1,2,2,2-tetradeuterio-1-phenylethanol
What is the InChIKey for Benzenemethan-d-ol, a-(methyl-d3)?
WAPNOHKVXSQRPX-CWIRFKENSA-N
How many hydrogen bond donor counts does Benzenemethan-d-ol, a-(methyl-d3) have?
1
What is the exact mass of Benzenemethan-d-ol, a-(methyl-d3)?
126.098271922 g/mol
How many stereocenter counts does Benzenemethan-d-ol, a-(methyl-d3) have?
0 defined atom stereocenter count, 1 undefined atom stereocenter count
What is the topological polar surface area of Benzenemethan-d-ol, a-(methyl-d3)?
20.2 ��2
Is the compound canonicalized?
Yes
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