CAS
94995-90-1 Purity
96%
94995-90-1 Purity
96%
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1-Benzylglycerol-2,3-carbonate
CAS
949-97-3
Catalog Number
ACM949973
Category
Other Products
Molecular Weight
208.21
Molecular Formula
C11H12O4
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Specification
Synonyms
4-[(Phenylmethoxy)methyl]-1,3-dioxolan-2-one; DL-3-O-Benzylglycerol-1,2-carbonate;
IUPAC Name
4-(phenylmethoxymethyl)-1,3-dioxolan-2-one
Canonical SMILES
C1C(OC(=O)O1)COCC2=CC=CC=C2
InChI Key
PLTALYMSSXETDZ-UHFFFAOYSA-N
Boiling Point
371.5ºC at 760 mmHg
Flash Point
167.6ºC
Density
1.21g/cm³
Appearance
Light Yellow Oil
Exact Mass
208.07400
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 1-Benzylglycerol-2,3-carbonate?
The molecular formula of 1-Benzylglycerol-2,3-carbonate is C11H12O4.
What is the molecular weight of 1-Benzylglycerol-2,3-carbonate?
The molecular weight of 1-Benzylglycerol-2,3-carbonate is 208.21 g/mol.
What is the IUPAC name of 1-Benzylglycerol-2,3-carbonate?
The IUPAC name of 1-Benzylglycerol-2,3-carbonate is 4-(phenylmethoxymethyl)-1,3-dioxolan-2-one.
What is the Canonical SMILES representation of 1-Benzylglycerol-2,3-carbonate?
The Canonical SMILES representation of 1-Benzylglycerol-2,3-carbonate is C1C(OC(=O)O1)COCC2=CC=CC=C2.
What is the InChIKey of 1-Benzylglycerol-2,3-carbonate?
The InChIKey of 1-Benzylglycerol-2,3-carbonate is PLTALYMSSXETDZ-UHFFFAOYSA-N.
What is the XLogP3-AA value of 1-Benzylglycerol-2,3-carbonate?
The XLogP3-AA value of 1-Benzylglycerol-2,3-carbonate is 1.7.
How many hydrogen bond acceptors are there in 1-Benzylglycerol-2,3-carbonate?
There are 4 hydrogen bond acceptors in 1-Benzylglycerol-2,3-carbonate.
What is the exact mass of 1-Benzylglycerol-2,3-carbonate?
The exact mass of 1-Benzylglycerol-2,3-carbonate is 208.07355886 g/mol.
How many rotatable bond counts does 1-Benzylglycerol-2,3-carbonate have?
1-Benzylglycerol-2,3-carbonate has 4 rotatable bond counts.
Is 1-Benzylglycerol-2,3-carbonate a canonicalized compound?
Yes, 1-Benzylglycerol-2,3-carbonate is a canonicalized compound according to PubChem.
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