IpOHA

CAT: 0607-BA1433-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1433-1Size:1 mg

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

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CAS Number

132418-03-2

Form

A solid

Molecular Formula

C5H9NO4

Molecular Weight

147.13

Shipping Conditions

Blue ice

Storage Conditions

4°C, desiccated and protect from light.

Chemical Information

(Hydroxy(propan-2-yl)carbamoyl)formic acid

CAS Number	132418-03-2
PubChem CID	73284
IUPAC Name	2-[hydroxy(propan-2-yl)amino]-2-oxoacetic acid
Molecular Formula	C5H9NO4
Molecular Weight	147.13
XLogP	0.5
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	154

SMILES

CC(C)N(C(=O)C(=O)O)O

InChI

InChI=1S/C5H9NO4/c1-3(2)6(10)4(7)5(8)9/h3,10H,1-2H3,(H,8,9)

InChIKey

QVIOSGUKMDGWNN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 132418-03-2

CID: 73284

Formula: C5H9NO4

MW: 147.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.13
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	147.05315777
Monoisotopic Mass	147.05315777
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	154
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

Catalog	Name
T79029-01	IpOHA