CAS 1565-80-6 | 1-Butanol, 2-methyl-, (2S)- | CAS Number 1565-80-6

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1565-80-6 | 1-Butanol, 2-methyl-, (2S)-

CAS No: 1565-80-6 Catalog No: AG001ORX MDL No:MFCD00064299

Product Description

Catalog Number:

AG001ORX

Chemical Name:

1-Butanol, 2-methyl-, (2S)-

CAS Number:

1565-80-6

Molecular Formula:

C5H12O

Molecular Weight:

88.1482

MDL Number:

MFCD00064299

IUPAC Name:

(2S)-2-methylbutan-1-ol

InChI:

InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1

InChI Key:

QPRQEDXDYOZYLA-YFKPBYRVSA-N

SMILES:

CC[C@@H](CO)C

EC Number:

216-366-1

UNII:

II2QJB35IC

Properties

Complexity:

27.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

88.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

88.15g/mol

Monoisotopic Mass:

88.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
A dendrimer chiroptical switch based on the reversible intramolecular photoreaction of anthracene and benzene rings.	Chemistry, an Asian journal 20100802
Behavioral and electrophysiological responses of Triatoma brasiliensis males to volatiles produced in the metasternal glands of females.	Journal of chemical ecology 20091001