| CAS Number | 27356-91-8 |
| Catalog Number | AG019YOK(AGN-PC-0JSXNS) |
| Chemical Name | 1-benzylcyclopropane-1-carboxylic acid |
| IUPAC Name | 1-benzylcyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H12O2/c12-10(13)11(6-7-11)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13) |
| InChI Key | PRZXHBOMTVGLPB-UHFFFAOYSA-N |
| MDL Number | MFCD11848883 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | O=C(C1(CC2=CC=CC=C2)CC1)O |
| Synonyms | 1-benzylcyclopropane-1-carboxylic acid,
27356-91-8,
1-Benzylcyclopropanecarboxylic acid,
PRZXHBOMTVGLPB-UHFFFAOYSA-N,
Cyclopropanecarboxylic acid, 1-(phenylmethyl)-,
AC1LBQKU,
SCHEMBL923461,
DTXSID00340211,
1-benzyl-cyclopropanecarboxylic acid,
ZINC49805307,
1-Benzylcyclopropanecarboxylic acid #,
AKOS014312859,
KS-7746,
MCULE-6791350921,
NE26146,
KS-000005H7,
A1-08451,
CID562561,
|
| Complexity | 200 |
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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\N
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Certificate of Analysis
Lot Number