Carbazochrome Impurity 21

CAT: 1596-AR-C06086-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C06086-01Size:10 Units

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CAS Number

13383-73-8

Synonyms

6-hydroxy-1-methylindolin-2-one

Molecular Formula

C9H9NO2

Molecular Weight

163.18

API Name

Carbazochrome

Chemical Information

6-Hydroxy-1-methylindolin-2-one

CAS Number	13383-73-8
PubChem CID	10397116
IUPAC Name	6-hydroxy-1-methyl-3H-indol-2-one
Molecular Formula	C9H9NO2
Molecular Weight	163.17
XLogP	0.6
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	205

SMILES

CN1C(=O)CC2=C1C=C(C=C2)O

InChI

InChI=1S/C9H9NO2/c1-10-8-5-7(11)3-2-6(8)4-9(10)12/h2-3,5,11H,4H2,1H3

InChIKey

MTXFKWDNTYDJKP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13383-73-8

CID: 10397116

Formula: C9H9NO2

MW: 163.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.17
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	163.063328530
Monoisotopic Mass	163.063328530
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	205
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes