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2-Methyl-3-(5′-carboxy-3′-methyl-2′-pentenyl)-1,4-naphthoquinone

2-Methyl-3-(5′-carboxy-3′-methyl-2′-pentenyl)-1,4-naphthoquinone structure

CAS No:
51732-61-7
Formula:
C18H18O4
Chemical Name:
2-Methyl-3-(5′-carboxy-3′-methyl-2′-pentenyl)-1,4-naphthoquinone
Synonyms:
4-Hexenoic acid,6-(1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)-4-methyl-;6-(1,4-Dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)-4-methyl-4-hexenoic acid;2-Methyl-3-(5′-carboxy-3′-methyl-2′-pentenyl)-1,4-naphthoquinone

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2-Methyl-3-(5′-carboxy-3′-methyl-2′-pentenyl)-1,4-naphthoquinone Basic Attributes

Molecular Weight：

298.338

Exact Mass：

298.33

Characteristics

PSA：

71.4

XLogP3：

3.2

Density：

1.209g/cm3

Boiling Point：

497.4ºC at 760 mmHg

Flash Point：

268.7ºC

Refractive Index：

1.575

Drug Information

MeSH Entry Terms：

2-methyl-3-(5'-carboxy-3'-methyl-2'-pentenyl)-1,4-naphthoquinone

Computed Properties

Molecular Weight:298.3
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:298.12050905
Monoisotopic Mass:298.12050905
Topological Polar Surface Area:71.4
Heavy Atom Count:22
Complexity:553
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Methyl-3-(5′-carboxy-3′-methyl-2′-pentenyl)-1,4-naphthoquinone

Basic Attributes
Characteristics
Drug Information
Computed Properties

2-Methyl-3-(5′-carboxy-3′-methyl-2′-pentenyl)-1,4-naphthoquinone

SDS

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