2-Octylcyclopropanecarboxylic acid

HCID 3251034CAS 15898-87-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCC1CC1C(=O)O
InChIKey
FLZRNGWKTVAXBN-UHFFFAOYSA-N
Molecular formula
C12H22O2
Average molar mass
198.3 g/mol
Monoisotopic mass
198.16197994

Names & identifiers

Preferred name
2-Octylcyclopropanecarboxylic acid
IUPAC
2-octylcyclopropane-1-carboxylic acid
English name
2-n-Octylcyclopropanecarboxylic acid
Molecular formula
C12H22O2
Molecular weight
198.3

Names & synonyms

2-octylcyclopropanecarboxylic acid15898-87-0DTXSID60390651RefChem:264517DTXCID103415122-octylcyclopropane-1-carboxylic acid2-Octyl-cyclopropanecarboxylic acidMFCD005438672-n-Octylcyclopropanecarboxylic acidCyclopropanecarboxylic acid, 2-octyl-Cyclopropanecarboxylate-octylSCHEMBL301664
Show more names
2-octyl-1-cyclopropanecarboxylic acid
2-octylcyclopropanecarboxylicacidFLZRNGWKTVAXBN-UHFFFAOYSA-N2-octylcyclopro-panecarboxylic acidALBB-015062SBB001548STK7957452-(n-octyl)cyclopropanecarboxylic acidAKOS001752089

Database identifiers

CAS
15898-87-0
PubChem CID
3251034
DTXSID
DTXSID60390651

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
8
Heavy atoms
14

Physicochemical properties

Boiling point
299.4 · 299.4±8.0 °C(Predicted)
Density
0.981 · 0.981±0.06 g/cm3(Predicted)
pka
4.88 · 4.88±0.11(Predicted)
HazardClass
IRRITANT

Safety & regulation

Safety data

hazard_class
IRRITANT

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers8 total

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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