CAS
96850-54-3 Purity
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96850-54-3 Purity
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1,3-Propanediol,1-phenyl-, (1S)-
CAS
96854-34-1
Catalog Number
ACM96854341
Category
Other Products
Molecular Weight
152.1904
Molecular Formula
C9H12 O2
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Specification
Synonyms
(S)-1-PHENYL-1,2-PROPANEDIOL;(S)-1-PHENYL-1,3-PROPANEDIOL;S(-)-1-PHENYL-1,3-PROPANEDIOL;(S)-3-PHENYL-1,3-PROPANEDIOL;(S)-1-Phenyl-1,3-propanediol,98%
IUPAC Name
(1S)-1-phenylpropane-1,3-diol
InChI Key
RRVFYOSEKOTFOG-VIFPVBQESA-N
Boiling Point
310.6ºC at 760 mmHg
Melting Point
61-64ºC
Flash Point
153.9ºC
Density
1.131 g/cm³
Appearance
white crystalline powder and chunks
Exact Mass
152.08400
H-Bond Acceptor
2
H-Bond Donor
2
Physical Description
(S)-1-Phenyl-1,3-propanediol 98% (1g)
Safety Description
S24/25
What is the PubChem CID of 1,3-Propanediol, 1-phenyl-, (1S)-?
The PubChem CID of 1,3-Propanediol, 1-phenyl-, (1S)- is 6950537.
What is the molecular formula of 1,3-Propanediol, 1-phenyl-, (1S)-?
The molecular formula of 1,3-Propanediol, 1-phenyl-, (1S)- is C9H12O2.
What is the molecular weight of 1,3-Propanediol, 1-phenyl-, (1S)-?
The molecular weight of 1,3-Propanediol, 1-phenyl-, (1S)- is 152.19 g/mol.
What is the IUPAC name of 1,3-Propanediol, 1-phenyl-, (1S)-?
The IUPAC name of 1,3-Propanediol, 1-phenyl-, (1S)- is (1S)-1-phenylpropane-1,3-diol.
What is the InChI of 1,3-Propanediol, 1-phenyl-, (1S)-?
The InChI of 1,3-Propanediol, 1-phenyl-, (1S)- is InChI=1S/C9H12O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-/m0/s1.
What is the InChIKey of 1,3-Propanediol, 1-phenyl-, (1S)-?
The InChIKey of 1,3-Propanediol, 1-phenyl-, (1S)- is RRVFYOSEKOTFOG-VIFPVBQESA-N.
What is the canonical SMILES of 1,3-Propanediol, 1-phenyl-, (1S)-?
The canonical SMILES of 1,3-Propanediol, 1-phenyl-, (1S)- is C1=CC=C(C=C1)C(CCO)O.
How many hydrogen bond donor count does 1,3-Propanediol, 1-phenyl-, (1S)- have?
1,3-Propanediol, 1-phenyl-, (1S)- has 2 hydrogen bond donor count.
How many hydrogen bond acceptor count does 1,3-Propanediol, 1-phenyl-, (1S)- have?
1,3-Propanediol, 1-phenyl-, (1S)- has 2 hydrogen bond acceptor count.
Is 1,3-Propanediol, 1-phenyl-, (1S)- a canonicalized compound?
Yes, 1,3-Propanediol, 1-phenyl-, (1S)- is a canonicalized compound.
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