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diMethyl2-aMinoisophthalate

diMethyl2-aMinoisophthalate structure

CAS No:
57053-02-8
Formula:
C10H11NO4
Chemical Name:
diMethyl2-aMinoisophthalate
Synonyms:
dimethyl 2-aminobenzene-1,3-dicarboxylate;diMethyl 2-aMinoisophthalate;1,3-dimethyl 2-aminobenzene-1,3-dicarboxylate;dimethyl 2-aminobenzene-1,3-dioate;Dimethyl 2-aminoisophthalic acid;1,3-Benzenedicarboxylic acid, 2-amino-, 1,3-dimethyl ester

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diMethyl2-aMinoisophthalate Basic Attributes

Molecular Weight：

209.2

Exact Mass：

209.06880783

DSSTox ID：

DTXSID90480933

HScode：

2922499990

Characteristics

PSA：

78.62000

XLogP3：

1.42320

Density：

1.248±0.06 g/cm3

Melting Point：

102-103 °C

Boiling Point：

309.3±22.0 °C(Predicted)

PKA：

-0.19±0.10

Computed Properties

Molecular Weight:209.20
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:209.06880783
Monoisotopic Mass:209.06880783
Topological Polar Surface Area:78.6
Heavy Atom Count:15
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of diMethyl2-aMinoisophthalate

Basic Attributes
Characteristics
Computed Properties

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