Text Search
Structure Search

2-oxononanoic acid

2-oxononanoic acid

CAS: 13139-94-1

Formula: C9H16O3

SMILES: CCCCCCCC(=O)C(O)=O

IUPAC: 2-oxononanoic acid

InChI: InChI=1S/C9H16O3/c1-2-3-4-5-6-7-8(10)9(11)12/h2-7H2,1H3,(H,11,12)

Composition: C (62.77%), H (9.36%), O (27.87%)

Molar Mass: 172.224

Atom Count: 28

Heavy Atom Count: 12

Properties
Properties
Common Names n-heptanoyl acetic acid
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 172.109944375
Formal Charge 0
FSP3 0.78
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SHDOPXQMNJDYDK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.62
Topological Polar Surface Area 54.37
Polarizability 17.92
Ring Count 0
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 13139-94-1 Quote Only
Request Quote
AA BLOCKS INC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 13139-94-1 $376.05-$1,150.00$376.05$538.20$746.35$1,150.00
Request Quote