4-pentanamidobenzoic acid

4-pentanamidobenzoic acid

CAS: 100390-76-9

Formula: C12H15NO3

SMILES: CCCCC(=O)NC1=CC=C(C=C1)C(O)=O

IUPAC: 4-pentanamidobenzoic acid

InChI: InChI=1S/C12H15NO3/c1-2-3-4-11(14)13-10-7-5-9(6-8-10)12(15)16/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)

Composition: C (65.14%), H (6.83%), N (6.33%), O (21.69%)

Molar Mass: 221.256

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.105193347
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	SBQFPXHBAJDVLV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.01
Topological Polar Surface Area	66.4
Polarizability	23.07
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	100390-76-9		$87.40$87.40

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<6 Days	100390-76-9		$65.55$65.55

ChemBridge Corp.

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	100390-76-9		$58.65-$232.30$58.65$232.30

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	100390-76-9		$101.60$101.60