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1-Methyl heptanedioate

1-Methyl heptanedioate structure

CAS No:
20291-40-1
Formula:
C8H14O4
Chemical Name:
1-Methyl heptanedioate
Synonyms:
Heptanedioic acid,1-methyl ester;Pimelic acid,monomethyl ester;Heptanedioic acid,monomethyl ester;Pimelic acid,methyl ester;1-Methyl heptanedioate;Monomethyl pimelate;Methyl hemipimelate;Methyl 1,7-heptanedioate;Methyl 6-carboxyhexanoate;7-Methoxy-7-oxoheptanoic acid;6-Methoxycarbonylhexanoic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-Methyl heptanedioate Basic Attributes

Molecular Weight：

174.19

Exact Mass：

174.19

EC Number：

243-693-7

DSSTox ID：

DTXSID70174166

HScode：

2918990090

Characteristics

PSA：

63.6

XLogP3：

1.1

Density：

1.0383 g/cm³ @ Temp: 20 °C

Melting Point：

5 °C

Boiling Point：

128 °C @ Press: 16 Torr

Flash Point：

104.3ºC

Refractive Index：

1.447

Vapor Pressure：

0.00169mmHg at 25°C

Computed Properties

Molecular Weight:174.19
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:174.08920892
Monoisotopic Mass:174.08920892
Topological Polar Surface Area:63.6
Heavy Atom Count:12
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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