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methyl aminolevulinate hcl

methyl aminolevulinate hcl

CAS: 79416-27-6

Formula: C6H12ClNO3

SMILES: Cl[H].COC(=O)CCC(=O)CN

IUPAC: methyl 5-amino-4-oxopentanoate hydrochloride

InChI: InChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H

Composition: C (39.68%), H (6.66%), Cl (19.52%), N (7.71%), O (26.43%)

Molar Mass: 181.62

Atom Count: 23

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 181.050571
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UJYSYPVQHFNBML-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.22
Topological Polar Surface Area 69.39
Polarizability 14.2
Ring Count 0
Rotatable Bond Count 5

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