Isopropyl formate

CAT: 0024-sc-235419Size: 25 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-235419Size:25 mL

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CAS Number

625-55-8

Chemical Information

Isopropyl formate

Isopropyl formate is a carboxylic ester.

CAS Number	625-55-8
PubChem CID	12257
IUPAC Name	propan-2-yl formate
Molecular Formula	C4H8O2
Molecular Weight	88.11
XLogP	0.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	40

SMILES

CC(C)OC=O

InChI

InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3

InChIKey

RMOUBSOVHSONPZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 625-55-8

CID: 12257

Formula: C4H8O2

MW: 88.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	88.11
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	88.052429494
Monoisotopic Mass	88.052429494
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	40.8
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
I09890-01	Isopropyl Formate
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053925	Citronellyl Formate for Synthesis (Citronellol Formate)
M-CEM-22451	Uranyl Formate
HY-110197A	6bK (formate)
FG40358	Geranyl formate
FA35068-01	Ammonium formate
FL54603	Lithium formate
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