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rel-(3aR,4S,5R,7S,7aR)-3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indene-5-carboxaldehyde

rel-(3aR,4S,5R,7S,7aR)-3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indene-5-carboxaldehyde structure

CAS No:
59691-23-5
Formula:
C11H14O
Chemical Name:
rel-(3aR,4S,5R,7S,7aR)-3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indene-5-carboxaldehyde
Synonyms:
4,7-Methano-1H-indene-5-carboxaldehyde,3a,4,5,6,7,7a-hexahydro-,(3aR,4S,5R,7S,7aR)-rel-;4,7-Methano-1H-indene-5-carboxaldehyde,3a,4,5,6,7,7a-hexahydro-,(3aα,4α,5α,7α,7aα)-;rel-(3aR,4S,5R,7S,7aR)-3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indene-5-carboxaldehyde

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rel-(3aR,4S,5R,7S,7aR)-3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indene-5-carboxaldehyde Basic Attributes

Molecular Weight：

162.22826

Exact Mass：

162.23

EC Number：

261-861-8

Characteristics

PSA：

17.1

XLogP3：

2.99950

Density：

1.164g/cm3

Boiling Point：

247.4ºC at 760 mmHg

Flash Point：

85.5ºC

Refractive Index：

1.612

Safety Information

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501|Aggregated GHS information provided by 35 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

rel-(3aR,4S,5R,7S,7aR)-3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indene-5-carboxaldehyde Use and Manufacturing

Manufacturing Info：

4,7-Methano-1H-indene-5-carboxaldehyde, 3a,4,5,6,7,7a-hexahydro-, (3aR,4S,5R,7S,7aR)-rel-: ACTIVE

Computed Properties

Molecular Weight:162.23
XLogP3:1.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:162.104465066
Monoisotopic Mass:162.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:243
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of rel-(3aR,4S,5R,7S,7aR)-3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indene-5-carboxaldehyde

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

rel-(3aR,4S,5R,7S,7aR)-3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indene-5-carboxaldehyde

SDS

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