3-amino-4-propoxybenzoic acid

3-amino-4-propoxybenzoic acid

CAS: 59691-15-5

Formula: C10H13NO3

SMILES: CCCOC1=CC=C(C=C1N)C(O)=O

IUPAC: 3-amino-4-propoxybenzoic acid

InChI: InChI=1S/C10H13NO3/c1-2-5-14-9-4-3-7(10(12)13)6-8(9)11/h3-4,6H,2,5,11H2,1H3,(H,12,13)

Composition: C (61.53%), H (6.71%), N (7.18%), O (24.59%)

Molar Mass: 195.218

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	195.089543283
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	UZOZIVWRRZWJMT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.75
Topological Polar Surface Area	72.55
Polarizability	20.02
Ring Count	1
Rotatable Bond Count	4

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