4-(morpholine-4-carbonyl)benzoic acid

4-(morpholine-4-carbonyl)benzoic acid

CAS: 160816-43-3

Formula: C12H13NO4

SMILES: OC(=O)C1=CC=C(C=C1)C(=O)N1CCOCC1

IUPAC: 4-(morpholine-4-carbonyl)benzoic acid

InChI: InChI=1S/C12H13NO4/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4H,5-8H2,(H,15,16)

Composition: C (61.27%), H (5.57%), N (5.95%), O (27.20%)

Molar Mass: 235.239

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.084457903
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BFTPXPCTGHARJF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.26
Topological Polar Surface Area	66.84
Polarizability	22.89
Ring Count	2
Rotatable Bond Count	2

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