| CAS Number | 355391-05-8 |
| Catalog Number | AG00CSNE(AGN-PC-03T0LD) |
| Chemical Name | 4-(Cyclopropylmethoxy)benzoic acid |
| IUPAC Name | 4-(cyclopropylmethoxy)benzoic acid |
| InChI | InChI=1S/C11H12O3/c12-11(13)9-3-5-10(6-4-9)14-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,12,13) |
| InChI Key | UGWIDAVJFWSASF-UHFFFAOYSA-N |
| MDL Number | MFCD11156580 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | c1c(ccc(c1)C(=O)O)OCC1CC1 |
| Synonyms | 4-(cyclopropylmethoxy)benzoic acid,
355391-05-8,
AC1Q73GD,
SCHEMBL416244,
4-cyclopropylmethoxybenzoic acid,
CTK7I8086,
UGWIDAVJFWSASF-UHFFFAOYSA-N,
MFCD11156580,
ZINC20080310,
AKOS000264009,
Benzoic acid, 4-(cyclopropylmethoxy)-,
MCULE-1646044918,
NE28652,
SC-90806,
FT-0755355,
EN300-52337,
Z763367844,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number