CAS
98700-53-9 Purity
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98700-53-9 Purity
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2-Phenyl-1,3-propanediol-d4
CAS
98704-00-8
Catalog Number
ACM98704008
Category
Other Products
Molecular Weight
156.22
Molecular Formula
C9H8D4O2
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Specification
Synonyms
2-Phenyl-1,3-propane-1,1,3,3-d4-diol; NSC 78023-d4;
IUPAC Name
1,1,3,3-tetradeuterio-2-phenylpropane-1,3-diol
Canonical SMILES
C1=CC=C(C=C1)C(CO)CO
InChI Key
BPBDZXFJDMJLIB-KXGHAPEVSA-N
Boiling Point
310.6ºC at 760 mmHg
Flash Point
153.8ºC
Density
1.161g/cm³
Appearance
White Solid
Exact Mass
156.10900
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of 2-Phenyl-1,3-propanediol-d4?
The molecular formula of 2-Phenyl-1,3-propanediol-d4 is C9H12O2.
What is the molecular weight of 2-Phenyl-1,3-propanediol-d4?
The molecular weight of 2-Phenyl-1,3-propanediol-d4 is 156.21 g/mol.
When was 2-Phenyl-1,3-propanediol-d4 created in PubChem?
2-Phenyl-1,3-propanediol-d4 was created in PubChem on February 7, 2007.
What is the InChIKey of 2-Phenyl-1,3-propanediol-d4?
The InChIKey of 2-Phenyl-1,3-propanediol-d4 is BPBDZXFJDMJLIB-KXGHAPEVSA-N.
How many hydrogen bond donor counts does 2-Phenyl-1,3-propanediol-d4 have?
2-Phenyl-1,3-propanediol-d4 has 2 hydrogen bond donor counts.
What is the exact mass of 2-Phenyl-1,3-propanediol-d4?
The exact mass of 2-Phenyl-1,3-propanediol-d4 is 156.108836605 g/mol.
How many defined atom stereocenter counts does 2-Phenyl-1,3-propanediol-d4 have?
2-Phenyl-1,3-propanediol-d4 has 0 defined atom stereocenter counts.
What is the topological polar surface area of 2-Phenyl-1,3-propanediol-d4?
The topological polar surface area of 2-Phenyl-1,3-propanediol-d4 is 40.5 Å2.
Is the compound is canonicalized for 2-Phenyl-1,3-propanediol-d4?
Yes, the compound is canonicalized for 2-Phenyl-1,3-propanediol-d4.
What is the Isomeric SMILES representation of 2-Phenyl-1,3-propanediol-d4?
The Isomeric SMILES representation of 2-Phenyl-1,3-propanediol-d4 is [2H]C([2H])(C(C1=CC=CC=C1)C([2H])([2H])O).
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