| CAS Number | 871476-77-6 |
| Catalog Number | AG003AGR(AGN-PC-0BXUI0) |
| Chemical Name | (1-Ethynylcyclopropyl)methanol |
| IUPAC Name | (1-ethynylcyclopropyl)methanol |
| InChI | InChI=1S/C6H8O/c1-2-6(5-7)3-4-6/h1,7H,3-5H2 |
| InChI Key | QZNDCPWWVJPXHN-UHFFFAOYSA-N |
| MDL Number | MFCD27930889 |
| Molecular Formula | C6H8O |
| Molecular Weight | 96.1271 |
| SMILES | C(#C)C1(CC1)CO |
| Synonyms | (1-Ethynylcyclopropyl)methanol,
871476-77-6,
Cyclopropanemethanol, 1-ethynyl-,
QZNDCPWWVJPXHN-UHFFFAOYSA-N,
KS-000005GI,
MFCD27930889,
AKOS026716194,
ZINC168390744,
CS-0053660,
F2147-3078,
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| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 96.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 96.129g/mol |
| Monoisotopic Mass | 96.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number