| CAS Number | 1113001-63-0 |
| Catalog Number | AG00HC4T(AGN-PC-0WCKMY) |
| Chemical Name | 2-(3-(Methoxycarbonyl)bicyclo-[1.1.1]pentan-1-yl)acetic acid |
| IUPAC Name | 2-(3-methoxycarbonyl-1-bicyclo[1.1.1]pentanyl)acetic acid |
| InChI | InChI=1S/C9H12O4/c1-13-7(12)9-3-8(4-9,5-9)2-6(10)11/h2-5H2,1H3,(H,10,11) |
| InChI Key | LUHZDMKRIAUCOY-UHFFFAOYSA-N |
| MDL Number | MFCD20660949 |
| Molecular Formula | C9H12O4 |
| Molecular Weight | 184.1892 |
| SMILES | COC(=O)C12CC(C1)(C2)CC(=O)O |
| Synonyms | 1113001-63-0,
2-(3-(Methoxycarbonyl)bicyclo-[1.1.1]pentan-1-yl)acetic acid,
2-(3-(Methoxycarbonyl)bicyclo[1.1.1]pentan-1-yl)acetic acid,
2-[3-(Methoxycarbonyl)bicyclo[1.1.1]pentan-1-yl]acetic acid,
MFCD20660949,
AKOS025405302,
ZINC238375130,
SB11723,
OR312132,
CS-0055564,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.191g/mol |
| Monoisotopic Mass | 184.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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