| CAS Number | 164520-99-4 |
| Catalog Number | AG00AT7A |
| Chemical Name | 4-(Cyclopropylmethoxy)benzaldehyde |
| IUPAC Name | 4-(cyclopropylmethoxy)benzaldehyde |
| InChI | InChI=1S/C11H12O2/c12-7-9-3-5-11(6-4-9)13-8-10-1-2-10/h3-7,10H,1-2,8H2 |
| InChI Key | PVQVSKYXCMWDFN-UHFFFAOYSA-N |
| MDL Number | MFCD06246721 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | O=CC1=CC=C(OCC2CC2)C=C1 |
| Synonyms | 4-(Cyclopropylmethoxy)benzaldehyde,
164520-99-4,
PVQVSKYXCMWDFN-UHFFFAOYSA-N,
AC1LBVUP,
4-cyclopropylmethoxybenzaldehyde,
SCHEMBL3718600,
DTXSID80337528,
Benzaldehyde,-4-cyclopropylmethoxy,
4-(Cyclopropylmethoxy)benzaldehyde #,
MFCD00278392,
ZINC20079273,
AKOS000260160,
Benzaldehyde, 4-(cyclopropylmethoxy)-,
NE31299,
4-(2,3-Epoxypropoxy)benzaldehyde,
CID543241,
14697-49-5,
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| Complexity | 167 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number