NM-3

CAT: 0127-BUP07279-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07279-02Size:10 mg

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CAS Number

181427-78-1

Synonyms

NM-3, Isocoumarin NM-3, NM3, NM 3, isocoumarin

Purity

=98%

Smiles

O=C1C=2C(C=C(C(C(O)=O)C)O1)=CC(OC)=CC2O

Chemical Information

Isocoumarin NM-3

NM-3 has been used in trials studying the treatment of Neoplasms.

CAS Number	181427-78-1
PubChem CID	5493470
IUPAC Name	2-(8-hydroxy-6-methoxy-1-oxoisochromen-3-yl)propanoic acid
Molecular Formula	C13H12O6
Molecular Weight	264.23
XLogP	2.1
Topological Polar Surface Area	93.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	415

SMILES

CC(C1=CC2=CC(=CC(=C2C(=O)O1)O)OC)C(=O)O

InChI

InChI=1S/C13H12O6/c1-6(12(15)16)10-4-7-3-8(18-2)5-9(14)11(7)13(17)19-10/h3-6,14H,1-2H3,(H,15,16)

InChIKey

BPZCXUROMKDLGX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 181427-78-1

CID: 5493470

Formula: C13H12O6

MW: 264.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.23
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	264.06338810
Monoisotopic Mass	264.06338810
Topological Polar Surface Area	93.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	415
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP02666-01	1-NM-PP1
PC1007482-01	3,3,3-Trifluoropropanehydrazide
OR1043029-01	3,3',3''-Nitrilotripropanamide
PC901625	3,3,3-Trifluoropropanamide
OR89892-01	3,3',3''-Nitrilotripropanenitrile
PC4452-01	3,3,3-Trifluoropropylmethyldimethoxysilane
PC4603-01	3,3,3-Trifluoropropylamine
OR1060769-01	3,3',3''-Phosphanetriyltriphenol
PC4553-01	3,3,3-Trifluoropropanenitrile
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate

Catalog	Name
HY-13705-01	NM-3
MBS5783242	NM-3 (isoCoumarin)
MBS5822830	Ser nM TPP nM CUR
VCar-Ly018	Gold NanopaRoom Temperatureicles (3 nm)
NM000100-01	Graphene Nanoplate 3-10 Nm
NDNV-NVNKit	Functionalized Red Fluorescent Nanodiamond Available Sizes are Red Carboxylated: 10 nm, 20 nm, 30 nm, 40 nm, 50 nm, 60 nm, 70 nm, 100 nm, 140 nm and Green Carboxylated: 70 nm, 90 nm, 120 nm, 140 nm. Please contact us with your requested sizes. Only one sample of each size per order.
DNL-C015	DiagNano™ PEG Upconverting Nanoparticles, 100 nm, 365 nm/475 nm
DNL-C016	DiagNano™ PEG Upconverting Nanoparticles, 100 nm, 545 nm/660 nm
FP-176-50	5' Cy5 / 3' BBQ®-650 Ex: 646 nm / Em: 662 nm
ABC-TC0837	NM-081