CAS
850568-54-6 Purity
98%
850568-54-6 Purity
98%
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3-(Propoxycarbonyl)phenylboronic acid
CAS
850568-78-4
Catalog Number
ACM850568784
Category
Boronic Acids
Molecular Weight
208.02
Molecular Formula
C10H13BO4
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Specification
Synonyms
850568-78-4, 3-propoxycarbonylphenylboronic acid, 3-(Propoxycarbonyl)phenylboronic acid, Propyl 3-boronobenzoate, 3-(Propoxycarbonyl)benzeneboronic acid, KSC447O4H, CTK3E7743, MolPort-000-931-719, (3-propoxycarbonylphenyl)boronic acid, ANW-48414, OR3965, AKOS004113801, (3-Propoxycarbonyl)phenylboronic acid,, AB26472, AG-H-41314, AK-45884, BR-45884, N199, [3-[oxo(propoxy)methyl]phenyl]boronic acid, 3-(Propoxycarbonyl)Benzeneboronic Acid 97%
IUPAC Name
(3-propoxycarbonylphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)C(=O)OCCC)(O)O
InChI Key
BSCFVVVAJINDLA-UHFFFAOYSA-N
Boiling Point
378.283ºC at 760 mmHg
Melting Point
104-108ºC
Flash Point
182.579ºC
Density
1.182g/cm³
Exact Mass
208.09100
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of 3-(Propoxycarbonyl)phenylboronic acid?
The molecular formula of 3-(Propoxycarbonyl)phenylboronic acid is C10H13BO4.
What is the molecular weight of 3-(Propoxycarbonyl)phenylboronic acid?
The molecular weight of 3-(Propoxycarbonyl)phenylboronic acid is 208.02 g/mol.
What is the IUPAC name of 3-(Propoxycarbonyl)phenylboronic acid?
The IUPAC name of 3-(Propoxycarbonyl)phenylboronic acid is (3-propoxycarbonylphenyl)boronic acid.
What is the InChI key of 3-(Propoxycarbonyl)phenylboronic acid?
The InChI key of 3-(Propoxycarbonyl)phenylboronic acid is BSCFVVVAJINDLA-UHFFFAOYSA-N.
What is the canonical SMILES representation of 3-(Propoxycarbonyl)phenylboronic acid?
The canonical SMILES representation of 3-(Propoxycarbonyl)phenylboronic acid is B(C1=CC(=CC=C1)C(=O)OCCC)(O)O.
What is the CAS number of 3-(Propoxycarbonyl)phenylboronic acid?
The CAS number of 3-(Propoxycarbonyl)phenylboronic acid is 850568-78-4.
What is the hydrogen bond donor count of 3-(Propoxycarbonyl)phenylboronic acid?
The hydrogen bond donor count of 3-(Propoxycarbonyl)phenylboronic acid is 2.
What is the hydrogen bond acceptor count of 3-(Propoxycarbonyl)phenylboronic acid?
The hydrogen bond acceptor count of 3-(Propoxycarbonyl)phenylboronic acid is 4.
What is the rotatable bond count of 3-(Propoxycarbonyl)phenylboronic acid?
The rotatable bond count of 3-(Propoxycarbonyl)phenylboronic acid is 5.
Is 3-(Propoxycarbonyl)phenylboronic acid a canonicalized compound?
Yes, 3-(Propoxycarbonyl)phenylboronic acid is a canonicalized compound.
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