Lacmoid

CAT: 0127-OR1024892-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1024892-02Size:5 g

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

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CAS Number

42249-61-6

Synonyms

Azanium;7-oxophenoxazin-3-olate

Purity

Smiles

C1=CC2=C(C=C1[O-])OC3=CC(=O)C=CC3=N2.[NH4+]

Chemical Information

Resorcin Blue

CAS Number	42249-61-6
PubChem CID	162507
IUPAC Name	azanium 7-oxophenoxazin-3-olate
Molecular Formula	C12H10N2O3
Molecular Weight	230.22
Topological Polar Surface Area	62.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	388

SMILES

C1=CC2=C(C=C1[O-])OC3=CC(=O)C=CC3=N2.[NH4+]

InChI

InChI=1S/C12H7NO3.H3N/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9;/h1-6,14H;1H3

InChIKey

MIXIPTWQWAKYRB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42249-61-6

CID: 162507

Formula: C12H10N2O3

MW: 230.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.22
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	230.06914219
Monoisotopic Mass	230.06914219
Topological Polar Surface Area	62.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	388
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	2
Compound Is Canonicalized	Yes