CAS
960521-63-5 Purity
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960521-63-5 Purity
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amino]-,ethyl ester](https://resource.alfa-chemistry.com/structure/960521-65-7.gif)
![3-Furancarboxylic acid,5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-[[(trans-4-methylcyclohexyl)carbonyl](1-methylethyl)amino]-,ethyl ester](https://resource.alfa-chemistry.com/structure/960521-67-9.gif)
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Benzoic acid,4-(aminomethyl)-3-methoxy-
CAS
96053-20-2
Catalog Number
ACM96053202
Category
Other Products
Molecular Weight
181.19
Molecular Formula
C9H11 N O3
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Specification
Synonyms
4-(AMINOMETHYL)-3-METHOXY BENZOIC ACID;4-(AMINOMETHYL)-3-METHOXY-BENOZOIC ACID;4-AMINOMETHYL-3-METHOXY-BENZOIC ACID HYDROCHLORIDE
IUPAC Name
4-(aminomethyl)-3-methoxybenzoic acid
Canonical SMILES
COC1=C(C=CC(=C1)C(=O)O)CN
InChI Key
OXWDLXLTUXWUIN-UHFFFAOYSA-N
Boiling Point
348.8ºC at 760mmHg
Flash Point
164.7ºC
Density
1.241g/cm³
Exact Mass
181.07400
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 21106211?
The molecular formula is C9H11NO3.
When was the compound created in the PubChem database?
The compound was created on December 5, 2007.
What is the IUPAC name of the compound?
The IUPAC name is 4-(aminomethyl)-3-methoxybenzoic acid.
What is the molecular weight of the compound?
The molecular weight is 181.19 g/mol.
What is the Canonical SMILES of the compound?
The Canonical SMILES is COC1=C(C=CC(=C1)C(=O)O)CN.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is -2.
What is the exact mass of the compound?
The exact mass is 181.07389321 g/mol.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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