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1,3-BENZENE(DICARBOXYLIC ACID-13C2)

1,3-BENZENE(DICARBOXYLIC ACID-13C2) structure

CAS No:
112043-90-0
Formula:
C8H6O4
Chemical Name:
1,3-BENZENE(DICARBOXYLIC ACID-13C2)
Synonyms:
1,3-BENZENE(DICARBOXYLIC ACID-13C2);ISOPHTHALIC ACID-CARBOXY-13C2;ISOPHTHALIC-CARBOXY-13C2 ACID;ISOPHTHALIC-CARBOXY-13C2 ACID, 99 ATOM %13C

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1,3-BENZENE(DICARBOXYLIC ACID-13C2) Basic Attributes

Molecular Weight：

168.15

Exact Mass：

168.03300

DSSTox ID：

DTXSID80583907

Characteristics

PSA：

74.6

XLogP3：

1.08300

Melting Point：

341-343 °C(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P264, P280, P302+P352, P321, P332+P313, P362

Hazard Statements：

H315

Computed Properties

Molecular Weight:168.12
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:168.03331834
Monoisotopic Mass:168.03331834
Topological Polar Surface Area:74.6
Heavy Atom Count:12
Complexity:179
Isotope Atom Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-BENZENE(DICARBOXYLIC ACID-13C2)

Basic Attributes
Characteristics
Safety Information
Computed Properties

1,3-BENZENE(DICARBOXYLIC ACID-13C2)

SDS

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