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881686-34-6 | 3-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-propionic acid hydrochloride
CAS No: 881686-34-6 Catalog No: AG00VS15 MDL No:MFCD00573768
Product Description
Catalog Number:
AG00VS15
Chemical Name:
3-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-propionic acid hydrochloride
CAS Number:
881686-34-6
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD00573768
IUPAC Name:
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C14H19NO4.ClH/c1-18-12-7-10-3-5-15(6-4-14(16)17)9-11(10)8-13(12)19-2;/h7-8H,3-6,9H2,1-2H3,(H,16,17);1H
InChI Key:
VVWDYCVQPIYAFY-UHFFFAOYSA-N
SMILES:
COc1cc2CN(CCC(=O)O)CCc2cc1OC
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.767g/mol
Monoisotopic Mass:
301.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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