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2-(4-methoxybenzo[1,2]cyclohepta[3,4-b]thiophen-10-ylidene)acetic acid

2-(4-methoxybenzo[1,2]cyclohepta[3,4-b]thiophen-10-ylidene)acetic acid structure

CAS No:
128439-98-5
Formula:
C16H12O3S
Chemical Name:
2-(4-methoxybenzo[1,2]cyclohepta[3,4-b]thiophen-10-ylidene)acetic acid
Synonyms:
IX 207-887;

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2-(4-methoxybenzo[1,2]cyclohepta[3,4-b]thiophen-10-ylidene)acetic acid Basic Attributes

Molecular Weight：

284.33000

Exact Mass：

284.05071541

Characteristics

PSA：

74.77000

XLogP3：

3.72230

Density：

1.37g/cm3

Boiling Point：

475ºC at 760 mmHg

Flash Point：

241.1ºC

Refractive Index：

1.682

Vapor Pressure：

7.91E-10mmHg at 25°C

Drug Information

MeSH Entry Terms：

(10-methoxy-4H-benzo(4,5)cyclohepta(1,2-b)thiophene-4-ylidene)acetic acid

Computed Properties

Molecular Weight:284.3
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:284.05071541
Monoisotopic Mass:284.05071541
Topological Polar Surface Area:74.8
Heavy Atom Count:20
Complexity:455
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(4-methoxybenzo[1,2]cyclohepta[3,4-b]thiophen-10-ylidene)acetic acid

Basic Attributes
Characteristics
Drug Information
Computed Properties
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