3'-(Isopropoxycarbonyl)biphenyl-3-carboxylic acid - CAS 728918-79-4
Catalog: |
BB060502 |
Product Name: |
3'-(Isopropoxycarbonyl)biphenyl-3-carboxylic acid |
CAS: |
728918-79-4 |
Synonyms: |
Biphenyl-3,3'-dicarboxylic acid 3-isopropyl ester; 3-(3-propan-2-yloxycarbonylphenyl)benzoic Acid; 3'-(Isopropoxycarbonyl)biphenyl-3-carboxylic acid |
IUPAC Name: | 3-(3-propan-2-yloxycarbonylphenyl)benzoic acid |
Description: | 3'-(Isopropoxycarbonyl)biphenyl-3-carboxylic acid |
Molecular Weight: | 284.31 |
Molecular Formula: | C17H16O4 |
Canonical SMILES: | CC(C)OC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)O |
InChI: | InChI=1S/C17H16O4/c1-11(2)21-17(20)15-8-4-6-13(10-15)12-5-3-7-14(9-12)16(18)19/h3-11H,1-2H3,(H,18,19) |
InChI Key: | YAKLXVIMPZGSIR-UHFFFAOYSA-N |
Complexity: | 377 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.10485899 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 63.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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