diMal-O-CH2COOH

CAT: 0607-BA2586-25Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA2586-25Size:25 mg

Selected

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

Quick Request Actions

CAS Number

1620837-47-9

Form

A solid

Molecular Formula

C13H12N2O7

Molecular Weight

308.24

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

diMal-O-CH2COOH

CAS Number	1620837-47-9
PubChem CID	77106253
IUPAC Name	2-[1,3-bis(2,5-dioxopyrrol-1-yl)propan-2-yloxy]acetic acid
Molecular Formula	C13H12N2O7
Molecular Weight	308.24
XLogP	-1.8
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	528

SMILES

C1=CC(=O)N(C1=O)CC(CN2C(=O)C=CC2=O)OCC(=O)O

InChI

InChI=1S/C13H12N2O7/c16-9-1-2-10(17)14(9)5-8(22-7-13(20)21)6-15-11(18)3-4-12(15)19/h1-4,8H,5-7H2,(H,20,21)

InChIKey

JREDLPVQALHAIP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1620837-47-9

CID: 77106253

Formula: C13H12N2O7

MW: 308.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.24
XLogP3	-1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	308.06445073
Monoisotopic Mass	308.06445073
Topological Polar Surface Area	121 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	528
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