 Home > Encyclopedia > 2-[3-(4-chlorophenyl)propyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium,(E)-4-hydroxy-4-oxobut-2-enoate

2-[3-(4-chlorophenyl)propyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium,(E)-4-hydroxy-4-oxobut-2-enoate

2-[3-(4-chlorophenyl)propyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium,(E)-4-hydroxy-4-oxobut-2-enoate structure

CAS No:
2004-31-1
Formula:
C25H30ClNO6
Chemical Name:
2-[3-(4-chlorophenyl)propyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium,(E)-4-hydroxy-4-oxobut-2-enoate

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2-[3-(4-chlorophenyl)propyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium,(E)-4-hydroxy-4-oxobut-2-enoate Basic Attributes

Molecular Weight：

475.96200

Exact Mass：

475.1761654

Characteristics

PSA：

96.30000

XLogP3：

4.55880

Boiling Point：

473.1ºC at 760 mmHg

Flash Point：

239.9ºC

Vapor Pressure：

4.05E-09mmHg at 25°C

Computed Properties

Molecular Weight:476.0
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:475.1761654
Monoisotopic Mass:475.1761654
Topological Polar Surface Area:100
Heavy Atom Count:33
Complexity:529
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 2-[3-(4-chlorophenyl)propyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium,(E)-4-hydroxy-4-oxobut-2-enoate

Basic Attributes
Characteristics
Computed Properties

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