CAS 3569-21-9 | 3-(1H-Indol-3-yl)propan-1-ol | CAS Number 3569-21-9

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3569-21-9 | 3-(1H-Indol-3-yl)propan-1-ol

CAS No: 3569-21-9 Catalog No: AG003HZD MDL No:MFCD00013437

Product Description

Catalog Number:

AG003HZD

Chemical Name:

3-(1H-Indol-3-yl)propan-1-ol

CAS Number:

3569-21-9

Molecular Formula:

C11H13NO

Molecular Weight:

175.2270

MDL Number:

MFCD00013437

IUPAC Name:

3-(1H-indol-3-yl)propan-1-ol

InChI:

InChI=1S/C11H13NO/c13-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12-13H,3-4,7H2

InChI Key:

LYPSVQXMCZIRGP-UHFFFAOYSA-N

SMILES:

OCCCc1c[nH]c2c1cccc2

EC Number:

222-667-9

Properties

Complexity:

160

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

175.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

175.231g/mol

Monoisotopic Mass:

175.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

36A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Metabolism and metabolites of dithiocarbamates in the plant pathogenic fungus Leptosphaeria maculans.	Journal of agricultural and food chemistry 20120815
On the role of alphaThr183 in the allosteric regulation and catalytic mechanism of tryptophan synthase.	Journal of molecular biology 20021206