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5,6-dihydropenicillicacid

5,6-dihydropenicillicacid structure

CAS No:
35973-53-6
Formula:
C8H12O4
Chemical Name:
5,6-dihydropenicillicacid
Synonyms:
5,6-dihydropenicillic acid;2(5H)-Furanone, 5-hydroxy-4-methoxy-5-(1-methylethyl)-

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5,6-dihydropenicillicacid Basic Attributes

Molecular Weight：

172.18

Exact Mass：

172.07355886 g/mol

HScode：

2932209090

Characteristics

PSA：

55.76000

XLogP3：

0.41810

Density：

1.19±0.1 g/cm3

Melting Point：

84-85 °C

Boiling Point：

353.3±42.0 °C(Predicted)

Flash Point：

146.5ºC

Refractive Index：

1.493

PKA：

9.28±0.40

Drug Information

MeSH Entry Terms：

5,6-dihydropenicillic acid

Computed Properties

Molecular Weight:172.18
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:172.07355886
Monoisotopic Mass:172.07355886
Topological Polar Surface Area:55.8
Heavy Atom Count:12
Complexity:231
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5,6-dihydropenicillicacid

Basic Attributes
Characteristics
Drug Information
Computed Properties

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