Catalog No.:AA00ICHO

748786-57-4 | 3-(1,3-Benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid

Name: Name:3-(1,3-Benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid
Brand: AABLOCKS
SKU: AA00ICHO
Rating: 90 (10 reviews)

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contact us at [email protected] for pricing and availability information.

Technical Information
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Technical Information

Catalog Number:

AA00ICHO

Chemical Name:

3-(1,3-Benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid

CAS Number:

748786-57-4

Molecular Formula:

C18H15NO3S

Molecular Weight:

325.3816

MDL Number:

MFCD03654407

SMILES:

COc1ccc(cc1)C=C(c1nc2c(s1)cccc2)CC(=O)O

Properties

Computed Properties

Complexity:

446

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

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Tags:748786-57-4 Molecular Formula|748786-57-4 MDL|748786-57-4 SMILES|748786-57-4 3-(1,3-Benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid

Catalog No.: AA00ICHO

748786-57-4 | 3-(1,3-Benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid

This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.

Inquire

Technical Information

Catalog Number: AA00ICHO

Chemical Name: 3-(1,3-Benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid

CAS Number: 748786-57-4

Molecular Formula: C18H15NO3S

Molecular Weight: 325.3816

MDL Number: MFCD03654407

SMILES: COc1ccc(cc1)C=C(c1nc2c(s1)cccc2)CC(=O)O

Properties

Complexity: 446

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 23

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 5

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 1

XLogP3: 4.4

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