CAS
93777-58-3 Purity
96%
93777-58-3 Purity
96%
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2-[1-(4-Nitrophenyl)-2-(2,4,5-trimethoxyphenyl)vinyl]-(5H)-oxazole-4,4-dimethanol hydrochloride
CAS
93777-61-8
Catalog Number
ACM93777618
Category
Other Products
Molecular Weight
480.895500 [g/mol]
Molecular Formula
C22H24N2O8.HCl
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Specification
Synonyms
EINECS 298-093-8, 2-(1-(4-Nitrophenyl)-2-(2,4,5-trimethoxyphenyl)vinyl)-(5H)-oxazole-4,4-dimethanol hydrochloride, 93777-61-8
IUPAC Name
[4-(hydroxymethyl)-2-[(Z)-1-(4-nitrophenyl)-2-(2,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazol-4-yl]methanol hydrochloride
Canonical SMILES
COC1=CC(=C(C=C1C=C(C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(CO3)(CO)CO)OC)OC.Cl
InChI Key
LUUOQDGXLHLKHW-LIUCOPNQSA-N
EC Number
298-093-8
Exact Mass
480.13000
H-Bond Acceptor
9
H-Bond Donor
3
What is the molecular formula of the compound with PubChem CID 44146133?
The molecular formula is C22H25ClN2O8.
What are the synonyms for PubChem CID 44146133?
The synonyms include EINECS 298-093-8 and 2-[1-(4-Nitrophenyl)-2-(2,4,5-trimethoxyphenyl)vinyl]-(5H)-oxazole-4,4-dimethanol hydrochloride.
When was PubChem CID 44146133 created?
It was created on August 20, 2009.
What is the IUPAC name of the compound with PubChem CID 44146133?
The IUPAC name is [4-(hydroxymethyl)-2-[(Z)-1-(4-nitrophenyl)-2-(2,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazol-4-yl]methanol hydrochloride.
What is the InChIKey of the compound?
The InChIKey is LUUOQDGXLHLKHW-LIUCOPNQSA-N.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES is COC1=CC(=C(C=C1C=C(C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(CO3)(CO)CO)OC)OC.Cl.
What is the molecular weight of the compound?
The molecular weight is 480.9 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 9 hydrogen bond acceptor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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