5-Isoxazolemethanol,3-phenyl-

Name: 5-Isoxazolemethanol,3-phenyl-
SKU: ACM90924122
Rating: 5 (1 reviews)

CAS

90924-12-2

Catalog Number

ACM90924122

Category

Other Products

Molecular Weight

175.18

Molecular Formula

C₁₀H₉NO₂

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Specification

Synonyms

phenylisoxazolylmethanol; (3-phenyl-isoxazole-5-yl)-methanol; (3-phenyl-5-isoxazolyl)methanol; (3-phenylisoxazol-5-yl)methanol; 3-phenyl-5-hydroxymethylisoxazole;

IUPAC Name

(3-phenyl-1,2-oxazol-5-yl)methanol

Canonical SMILES

C1=CC=C(C=C1)C2=NOC(=C2)CO

InChI Key

CITYOBPAADIHAD-UHFFFAOYSA-N

Boiling Point

362.8ºC at 760mmHg

Melting Point

45-47ºC

Flash Point

173.2ºC

Density

1.211g/cm³

Exact Mass

175.06300

Hazard Statements

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 5-Isoxazolemethanol,3-phenyl?

The molecular formula of 5-Isoxazolemethanol,3-phenyl is C10H9NO2.

What is the molecular weight of 5-Isoxazolemethanol,3-phenyl?

The molecular weight of 5-Isoxazolemethanol,3-phenyl is 175.18 g/mol.

What are some synonyms for 5-Isoxazolemethanol,3-phenyl?

Some synonyms for 5-Isoxazolemethanol,3-phenyl are (3-phenyl-5-isoxazolyl)methanol, 90924-12-2, and (3-phenylisoxazol-5-yl)methanol.

What is the InChIKey for 5-Isoxazolemethanol,3-phenyl?

The InChIKey for 5-Isoxazolemethanol,3-phenyl is CITYOBPAADIHAD-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 5-Isoxazolemethanol,3-phenyl have?

5-Isoxazolemethanol,3-phenyl has 1 hydrogen bond donor count.

What is the topological polar surface area of 5-Isoxazolemethanol,3-phenyl?

The topological polar surface area of 5-Isoxazolemethanol,3-phenyl is 46.3 Å².

Is 5-Isoxazolemethanol,3-phenyl a canonicalized compound?

Yes, 5-Isoxazolemethanol,3-phenyl is a canonicalized compound.

What is the XLogP3-AA value for 5-Isoxazolemethanol,3-phenyl?

The XLogP3-AA value for 5-Isoxazolemethanol,3-phenyl is 1.2.

How many rotatable bond counts does 5-Isoxazolemethanol,3-phenyl have?

5-Isoxazolemethanol,3-phenyl has 2 rotatable bond counts.

What is the complexity value of 5-Isoxazolemethanol,3-phenyl?

The complexity value of 5-Isoxazolemethanol,3-phenyl is 157.

Upstream Synthesis Route 1

873-67-6
60-29-7
107-19-7

90924-12-2

Reference: [1]Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti,1953,vol. <8>14,p. 95,275,276,278

Upstream Synthesis Route 2

873-67-6
107-19-7

90924-12-2

Reference: [1]Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti,1953,vol. <8> 14,p. 95,97, 275, 278
[2]Gazzetta Chimica Italiana,1960,vol. 90,p. 337 - 346

Upstream Synthesis Route 3

72418-40-7

90924-12-2
14442-12-7

Reference: [1]Gazzetta Chimica Italiana,1943,vol. 73,p. 99,103