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6-ROX

CAT: 0607-C8264-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C8264-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
194785-18-7
Form
A solid
Molecular Formula
C33H30N2O5
Molecular Weight
534.60
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

6-carboxy-X-rhodamine

a ROX dye

CAS Number194785-18-7
PubChem CID2762612
IUPAC Name4-carboxy-3-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate
Molecular FormulaC33H30N2O5
Molecular Weight534.6
XLogP4.4
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count40
Formal Charge0
Complexity1200
SMILES
C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=CC(=C8)C(=O)[O-])C(=O)O)CCC7
InChI
InChI=1S/C33H30N2O5/c36-32(37)20-9-10-21(33(38)39)24(17-20)27-25-15-18-5-1-11-34-13-3-7-22(28(18)34)30(25)40-31-23-8-4-14-35-12-2-6-19(29(23)35)16-26(27)31/h9-10,15-17H,1-8,11-14H2,(H-,36,37,38,39)
InChIKey
WQZIDRAQTRIQDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-carboxy-X-rhodamine
CAS: 194785-18-7
CID: 2762612
Formula: C33H30N2O5
MW: 534.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.6
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass534.21547206
Monoisotopic Mass534.21547206
Topological Polar Surface Area92.9 Ų
Heavy Atom Count40
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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