Cis-Indan-1,3-diol

CAT: 0127-OR12575Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR12575Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

172977-38-7

Synonyms

(1S,3R) -Indan-1,3-diol

MDL Number

MFCD09800613

Purity

=95%

Smiles

O[C@@H]1C[C@H](O)c2ccccc12

Chemical Information

cis-1,3-Indandiol

CAS Number	172977-38-7
PubChem CID	11607939
IUPAC Name	(1R,3S)-2,3-dihydro-1H-indene-1,3-diol
Molecular Formula	C9H10O2
Molecular Weight	150.17
XLogP	0.4
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	130

SMILES

C1[C@H](C2=CC=CC=C2[C@H]1O)O

InChI

InChI=1S/C9H10O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4,8-11H,5H2/t8-,9+

InChIKey

KOFVTRKZZDKQDX-DTORHVGOSA-N

Chemical Structure

2D Structure

CAS: 172977-38-7

CID: 11607939

Formula: C9H10O2

MW: 150.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.17
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	150.068079557
Monoisotopic Mass	150.068079557
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	130
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1070123-01	Cis-Cyclobutane-1,3-diol
OR322236-01	Cis-4-Cyclopentene-1,3-diol
OR307532	Cis-1-Amino-indan-2-carboxylic acid
OR1074191-01	Cis-Cyclooctane-1,5-diol
OR1037012	Cis-cyclooctane-1,2-diol
OR1030489-01	Cis-Cyclopentane-1,2-Diol
OR307619	(cis-1-Amino-indan-2-yl) methanol
OR1027457-01	Cis-Cyclohexane-1,4-Diol
OR1031897-01	Cis-1-Methylcyclohexane-1,4-diol
OR307563	Cis-1-tert-Butoxycarbonylamino-indan-2-carboxylic acid

Catalog	Name
FC30625-01	Cis-4-Cyclopentene-1,3-diol
sc-294048A	(cis-1-Benzylamino-indan-2-yl) -methanol
sc-294047A	(cis-1-Amino-indan-2-yl) -methanol
sc-285290A	Cis-1-Amino-indan-2-carboxylic acid
sc-294050A	Cis-1-tert-Butoxycarbonylamino-indan-2-carboxylic acid
sc-285291A	Cis-1-Amino-indan-2-carboxylic acid hydrochloride
TRC-A746610-1G	(cis-1-Amino-indan-2-yl)-methanol Hydrochloride
163106	Cis-1-Butene-1,4-diol
sc-239560	Cis-2-Butene-1,4-diol
HY-N4324	Cis-p-Menthan-1,8-diol