3-Hydroxy-N-methylbenzamide , CAS No.15788-97-3

CAS: 15788-97-3 Cat. No.: H167609 분자식: C₈H₉NO₂ 분자량: 151.16 EC 번호: 809-186-5

Synonyms

MFCD08729289 | BENZAMIDE, 3-HYDROXY-N-METHYL- | SY123545 | AKOS000207284 | MB06615 | AS-44833 | 3-hydroxy-N-methylbenzamide | 3-HYDROXY-N-METHYL-BENZAMIDE | NSC602735 | NSC-602735 | FT-0740357 | (3-hydroxyphenyl)-n-methylcarboxamide | AB7323 | EN300-36689

Storage

Room temperature

Shipped In

Normal

사양

동의어

MFCD08729289 | BENZAMIDE, 3-HYDROXY-N-METHYL- | SY123545 | AKOS000207284 | MB06615 | AS-44833 | 3-hydroxy-N-methylbenzamide | 3-HYDROXY-N-METHYL-BENZAMIDE | NSC602735 | NSC-602735 | FT-0740357 | (3-hydroxyphenyl)-n-methylcarboxamide | AB7323 | EN300-36689

보관 조건

Room temperature

배송

Normal

이름과 식별자

정식 스마일

CNC(=O)C1=CC(=CC=C1)O

IUPAC Name

3-hydroxy-N-methylbenzamide

InChIKey

JJDMDNNJDGIVCG-UHFFFAOYSA-N

INCHI

1S/C8H9NO2/c1-9-8(11)6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11)

이성체 SMILES

CNC(=O)C1=CC(=CC=C1)O

분자량

151.16

Reaxy-Rn

2829866

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2829866&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 분자량: 151.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 147.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 15788-97-3, the molecular formula is C8H9NO2, and the molecular weight is 151.16 g/mol. InChIKey JJDMDNNJDGIVCG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.