CAS
913836-03-0 Purity
98%
913836-03-0 Purity
98%
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3-Carboxy-4-methoxyphenylboronic acid
CAS
913836-12-1
Catalog Number
ACM913836121
Category
Boronic Acids
Molecular Weight
195.96506
Molecular Formula
C8H9BO5
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Specification
Synonyms
5-Borono-2-methoxybenzoic acid, 913836-12-1, 3-CARBOXY-4-METHOXYPHENYLBORONIC ACID, 3-Carboxy-4-methoxybenzeneboronic acid, 5-(dihydroxyboranyl)-2-methoxybenzoic acid, ACMC-209raw, SureCN1163265, KSC486I0N, CTK3I6406, MolPort-001-767-730, ACT11013, ANW-39654, OR3625, AKOS006346721, AB23171, AG-H-74982, AK-62117, KB-30735, Benzoicacid, 5-borono-2-methoxy- (9CI), BENZOIC ACID, 5-BORONO-2-METHOXY-
IUPAC Name
5-borono-2-methoxybenzoic acid
Canonical SMILES
B(C1=CC(=C(C=C1)OC)C(=O)O)(O)O
InChI Key
YZKWFWNYFKBAHO-UHFFFAOYSA-N
Boiling Point
442.5ºC at 760 mmHg
Melting Point
176-177ºC
Flash Point
221.4ºC
Density
1.39g/cm³
Exact Mass
196.05400
Hazard Statements
Xi
H-Bond Acceptor
5
H-Bond Donor
3
What is the molecular formula of 3-Carboxy-4-methoxyphenylboronic acid?
The molecular formula of 3-Carboxy-4-methoxyphenylboronic acid is C8H9BO5.
What is the molecular weight of 3-Carboxy-4-methoxyphenylboronic acid?
The molecular weight of 3-Carboxy-4-methoxyphenylboronic acid is 195.97 g/mol.
What is the IUPAC name of 3-Carboxy-4-methoxyphenylboronic acid?
The IUPAC name of 3-Carboxy-4-methoxyphenylboronic acid is 5-borono-2-methoxybenzoic acid.
What is the InChI key of 3-Carboxy-4-methoxyphenylboronic acid?
The InChI key of 3-Carboxy-4-methoxyphenylboronic acid is YZKWFWNYFKBAHO-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Carboxy-4-methoxyphenylboronic acid?
The canonical SMILES of 3-Carboxy-4-methoxyphenylboronic acid is B(C1=CC(=C(C=C1)OC)C(=O)O)(O)O.
What is the CAS number of 3-Carboxy-4-methoxyphenylboronic acid?
The CAS number of 3-Carboxy-4-methoxyphenylboronic acid is 913836-12-1.
What is the hydrogen bond donor count of 3-Carboxy-4-methoxyphenylboronic acid?
The hydrogen bond donor count of 3-Carboxy-4-methoxyphenylboronic acid is 3.
What is the hydrogen bond acceptor count of 3-Carboxy-4-methoxyphenylboronic acid?
The hydrogen bond acceptor count of 3-Carboxy-4-methoxyphenylboronic acid is 5.
What is the rotatable bond count of 3-Carboxy-4-methoxyphenylboronic acid?
The rotatable bond count of 3-Carboxy-4-methoxyphenylboronic acid is 3.
Is 3-Carboxy-4-methoxyphenylboronic acid a canonicalized compound?
Yes, 3-Carboxy-4-methoxyphenylboronic acid is a canonicalized compound.
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