| CAS Number | 40641-90-5 |
| Catalog Number | AG00C6KF(AGN-PC-0WCWJH) |
| Chemical Name | 2-(4-Cyclopropylphenyl)acetic acid |
| IUPAC Name | 2-(4-cyclopropylphenyl)acetic acid |
| InChI | InChI=1S/C11H12O2/c12-11(13)7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10H,5-7H2,(H,12,13) |
| InChI Key | GPLBEAZWBXIBCQ-UHFFFAOYSA-N |
| MDL Number | MFCD18452123 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | O=C(O)CC1=CC=C(C2CC2)C=C1 |
| Synonyms | 2-(4-Cyclopropylphenyl)acetic acid,
40641-90-5,
4-cyclopropylphenylacetic acid,
Benzeneacetic acid, 4-cyclopropyl-,
SCHEMBL925698,
Benzeneaceticacid,4-cyclopropyl-,
(4-cyclopropylphenyl)acetic acid,
GPLBEAZWBXIBCQ-UHFFFAOYSA-N,
BCP20265,
CS-B1080,
MFCD18452123,
ZINC72233107,
AKOS006372005,
AS-39412,
DA-06075,
FT-0722636,
Y6219,
A1-03125,
C11H12O2,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number