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Isochroman

Isochroman structure

CAS No:
493-05-0
Formula:
C9H10O
Chemical Name:
Isochroman
Synonyms:
1H-2-Benzopyran,3,4-dihydro-;Isochroman;3,4-Dihydro-1H-2-benzopyran;NSC 63362;1,2,3,4-Tetrahydrobenzo[c]pyran;3,4-Dihydro-1H-isochromene;3,4-Dihydro-1H-benzo[c]pyran
Categories:
Pharmaceutical Intermediates > Antiparkinson Agents

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Description

clear colorless to yellowish liquid

Isochromane is a member of isochromanes.

Isochroman Basic Attributes

Molecular Weight：

134.178

Exact Mass：

134.18

EC Number：

207-774-0

NSC Number：

63362

DSSTox ID：

DTXSID50197757

HScode：

2932999099

Characteristics

PSA：

9.2

XLogP3：

1.6

Appearance：

clear colorless to yellowish liquid

Density：

1.068 g/cm³ @ Temp: 17.5 °C

Melting Point：

3ºC

Boiling Point：

67-69 °C @ Press: 2 Torr

Flash Point：

65.6±0.0 °C

Refractive Index：

1.541

Water Solubility：

Slightly soluble in water.

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.112mmHg at 25°C

Safety Information

wgk germany：

safety instructions：

S24/25

Marks：

Xi: Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Computed Properties

Molecular Weight:134.17
XLogP3:1.6
Hydrogen Bond Acceptor Count:1
Exact Mass:134.073164938
Monoisotopic Mass:134.073164938
Topological Polar Surface Area:9.2
Heavy Atom Count:10
Complexity:111
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Isochroman

CAS No.: 493-05-0

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