CAS
959236-59-0 Purity
97%
959236-59-0 Purity
97%
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3-(Hydroxymethyl)-4-isopropoxybenzaldehyde
CAS
959237-03-7
Catalog Number
ACM959237037
Category
Other Products
Molecular Weight
194.227060 [g/mol]
Molecular Formula
C11H14O3
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Specification
Synonyms
3-(HYDROXYMETHYL)-4-ISOPROPOXYBENZALDEHYDE, 959237-03-7, Ambcb4002347, CTK5H8340, MolPort-016-630-831, ZINC19087944, AKOS006283723, AG-H-94369, AK-99347
IUPAC Name
3-(hydroxymethyl)-4-propan-2-yloxybenzaldehyde
Canonical SMILES
CC(C)OC1=C(C=C(C=C1)C=O)CO
InChI Key
JQXDMMRPSMKGSR-UHFFFAOYSA-N
Boiling Point
341.421ºC at 760 mmHg
Flash Point
132.438ºC
Density
1.127g/cm³
Exact Mass
194.09400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C11H14O3.
What is the molecular weight of the compound?
The molecular weight of the compound is 194.23 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-(hydroxymethyl)-4-propan-2-yloxybenzaldehyde.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CC(C)OC1=C(C=C(C=C1)C=O)CO.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 46.5 Ų.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
When was the compound last modified?
The compound was last modified on 2023-12-30.
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