| CAS Number | 114671-90-8 |
| Catalog Number | AG01AEN8(AGN-PC-0C1Z35) |
| Chemical Name | 1-(hydroxymethyl)cyclobutane-1-carboxylic acid |
| IUPAC Name | 1-(hydroxymethyl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C6H10O3/c7-4-6(5(8)9)2-1-3-6/h7H,1-4H2,(H,8,9) |
| InChI Key | LVJOUTSTBBXGQS-UHFFFAOYSA-N |
| MDL Number | MFCD20126385 |
| Molecular Formula | C6H10O3 |
| Molecular Weight | 130.1418 |
| SMILES | O=C(C1(CO)CCC1)O |
| Synonyms | 1-(Hydroxymethyl)cyclobutanecarboxylic acid,
114671-90-8,
1-(hydroxymethyl)cyclobutane-1-carboxylic acid,
SCHEMBL13898741,
MFCD20126385,
ZINC95915273,
AKOS015968651,
AS-48477,
AJ-135341,
FT-0723035,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.143g/mol |
| Monoisotopic Mass | 130.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number