Name: Name:1,2,3,5,6,7-hexahydro-s-indacene
Brand: Angene
SKU: AG01DHX1
Rating: 90 (10 reviews)

1,2,3,5,6,7-hexahydro-s-indacene

CAS No.:

495-52-3

Catalog Number:

AG01DHX1

Molecular Formula:

C12H14

Molecular Weight:

158.2396

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

100mg

95%

In Stock USA

United States

$273

- +

Product Description

Catalog Number:

AG01DHX1

Chemical Name:

1,2,3,5,6,7-hexahydro-s-indacene

CAS Number:

495-52-3

Molecular Formula:

C12H14

Molecular Weight:

158.2396

MDL Number:

MFCD09867737

IUPAC Name:

1,2,3,5,6,7-hexahydro-s-indacene

InChI:

InChI=1S/C12H14/c1-3-9-7-11-5-2-6-12(11)8-10(9)4-1/h7-8H,1-6H2

InChI Key:

ZVGHRKGPUUKBPP-UHFFFAOYSA-N

SMILES:

C1Cc2c(C1)cc1c(c2)CCC1

Properties

Complexity:

137

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

158.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

158.244g/mol

Monoisotopic Mass:

158.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton.	Organic letters 20110520
Excitation and circular dichroism spectra of (-)-(3aS, 7aS)-2-chalcogena-trans-hydrindans(Ch = S, Se, Te): SAC and SAC-CI calculations.	Journal of computational chemistry 20080301
Multipoint recognition of catecholamines by hydrindacene-based receptors accompanied by the complexation-induced conformational switching.	Chemistry (Weinheim an der Bergstrasse, Germany) 20050121
Positive homotropic allosteric binding of benzenediols in a hydrindacene-based exoditopic receptor: cooperativity in amide hydrogen bonding.	Journal of the American Chemical Society 20040428