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Dipropylmalonic acid

Dipropylmalonic acid structure

CAS No:
1636-27-7
Formula:
C9H16O4
Chemical Name:
Dipropylmalonic acid
Synonyms:
Propanedioic acid,2,2-dipropyl-;Malonic acid,dipropyl-;Propanedioic acid,dipropyl-;2,2-Dipropylpropanedioic acid;4,4-Heptanedicarboxylic acid;Dipropylmalonic acid;NSC 62680;2,2′-Dipropylmalonic acid;2,2-Di-n-propylmalonic acid;2,2-Dipropylmalonic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Dipropylmalonic acid Basic Attributes

Molecular Weight：

188.22100

Exact Mass：

188.22

EC Number：

216-664-1

NSC Number：

62680

DSSTox ID：

DTXSID20167624

HScode：

2917190090

Characteristics

PSA：

74.60000

XLogP3：

1.74220

Appearance：

White crystalline powder

Density：

1.131g/cm3

Melting Point：

159 °C @ Solvent: Chloroform

Boiling Point：

345.8ºC at 760mmHg

Flash Point：

177.1ºC

Refractive Index：

1.474

Vapor Pressure：

1.07E-05mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:188.22
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:188.10485899
Monoisotopic Mass:188.10485899
Topological Polar Surface Area:74.6
Heavy Atom Count:13
Complexity:176
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes