| CAS Number | 62577-90-6 |
| Catalog Number | AG00EKC7(AGN-PC-03B41V) |
| Chemical Name | 4-Cyclopropoxy-benzoic acid |
| IUPAC Name | 4-cyclopropyloxybenzoic acid |
| InChI | InChI=1S/C10H10O3/c11-10(12)7-1-3-8(4-2-7)13-9-5-6-9/h1-4,9H,5-6H2,(H,11,12) |
| InChI Key | VUANULXCHKBPDD-UHFFFAOYSA-N |
| MDL Number | MFCD17000469 |
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.1846 |
| SMILES | O(c1ccc(cc1)C(=O)O)C1CC1 |
| Synonyms | 4-CYCLOPROPOXYBENZOIC ACID,
62577-90-6,
4-Cyclopropoxy-benzoic acid,
Benzoic acid, 4-(cyclopropyloxy)-,
4-(Cyclopropyloxy)benzoic acid,
4-cyclopropyloxybenzoic acid,
4 -cyclopropyloxybenzoic acid,
4-(Cyclopropoxy)benzoic acid,
SCHEMBL1977190,
CTK2B6950,
DTXSID00614126,
VUANULXCHKBPDD-UHFFFAOYSA-N,
ZINC95720550,
AKOS023798242,
MB29027,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.187g/mol |
| Monoisotopic Mass | 178.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number