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4,5-DIHYDRO-2-(ETHOXYCARBONYL)NAPTHO(1,2-B)THIOPENE

4,5-DIHYDRO-2-(ETHOXYCARBONYL)NAPTHO(1,2-B)THIOPENE structure

CAS No:
35813-68-4
Formula:
C13H10OS
Chemical Name:
4,5-DIHYDRO-2-(ETHOXYCARBONYL)NAPTHO(1,2-B)THIOPENE
Synonyms:
Naphtho[1,2-b]thiophen-2-ylmethanol;Naphtho[1,2-b]thiophene-2-methanol

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4,5-DIHYDRO-2-(ETHOXYCARBONYL)NAPTHO(1,2-B)THIOPENE Basic Attributes

Molecular Weight：

214.28

Exact Mass：

214.04523611

Characteristics

PSA：

48.47000

XLogP3：

3.54680

Density：

1.331±0.06 g/cm3

Melting Point：

85-86 °C(Solv: benzene (71-43-2); hexane (110-54-3))

Boiling Point：

428.8±20.0 °C(Predicted)

PKA：

13.89±0.10

Computed Properties

Molecular Weight:214.28
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:214.04523611
Monoisotopic Mass:214.04523611
Topological Polar Surface Area:48.5
Heavy Atom Count:15
Complexity:231
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,5-DIHYDRO-2-(ETHOXYCARBONYL)NAPTHO(1,2-B)THIOPENE

Basic Attributes
Characteristics
Computed Properties

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