Isopropanol-13C

CAT: 0572-TRC-I822878-50MGSize: 50 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-I822878-50MGSize:50 mg

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

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CAS Number

21388-65-8

Synonyms

2-Propanol-2-13c;

Hazard Statement

Highly flammable liquid and vapour; UN number: UN1219; Packing Group: II

Smiles

C[13CH](C)O

Molecular Formula

13CC2H8O

Molecular Weight

61.09

Shipping Conditions

Ice Packs

Storage Conditions

+4°C

Chemical Information

2-Propanol-2-13C

CAS Number	21388-65-8
PubChem CID	16213337
IUPAC Name	(213C)propan-2-ol
Molecular Formula	C3H8O
Molecular Weight	61.09
XLogP	0.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	4
Formal Charge	0
Complexity	10

SMILES

C[13CH](C)O

InChI

InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i3+1

InChIKey

KFZMGEQAYNKOFK-LBPDFUHNSA-N

Chemical Structure

2D Structure

CAS: 21388-65-8

CID: 16213337

Formula: C3H8O

MW: 61.09

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	61.09
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	61.060869710
Monoisotopic Mass	61.060869710
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	10.8
Isotope Atom Count	1
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

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Isopropanol-13C

Chemical Information

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