2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetic acid

HCID 719233
NotesReactions

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Basic information

CAS
61826-55-9
Standard SMILES
CC(=O)[C@@H]1C[C@H](CC(=O)O)C1(C)C
InChIKey
SIZDUQQDBXJXLQ-SFYZADRCSA-N
Molecular formula
C10H16O3
Average molar mass
184.23 g/mol
Monoisotopic mass
184.10994437

Names & identifiers

Preferred name
2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetic acid
IUPAC
2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetic acid

Names & synonyms

2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetic acid52305-34-761826-55-9Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-, (1R,3R)-rel-2-((1R,3R)-3-acetyl-2,2-dimethylcyclobutyl)acetic acidrac-2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetic acidMFCD25970441cis-3-Acetyl-2,2-dimethylcyclobutaneacetic acidrel-2-((1R,3R)-3-Acetyl-2,2-dimethylcyclobutyl)acetic acidMFCD00001327NSC 29469cis-Pinonic acid, 98%
Show more names
2-((1S,3S)-3-Acetyl-2,2-dimethylcyclobutyl)-acetic acid(1R,3R)-cis-Pinonic acidSCHEMBL4905394DTXSID40102576864396-97-0AKOS026726682AT41694AS-71105

Database identifiers

CAS
61826-55-9
PubChem CID
719233
DTXSID
DTXSID401025768
Nikkaji
J35.858D

Properties

Computed structural propertiesFilling in

XLogP
1
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13

Experimental & physicochemical properties

Kovats Retention Index1427

Chemistry & industry

Suppliers15 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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