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ASISCHEM C63549

ASISCHEM C63549 structure

CAS No:
335030-80-3
Formula:
C7H7N3O2
Chemical Name:
ASISCHEM C63549
Synonyms:
CHEMBRDG-BB 4011776;ASISCHEM C63549;(2E)-3-(2-AMINOPYRIMIDIN-5-YL)ACRYLIC ACID;(2E)-3-(2-aminopyrimidin-5-yl)acrylic acid(SALTDATA: FREE)
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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ASISCHEM C63549 Basic Attributes

Molecular Weight：

165.15

Exact Mass：

165.05400

DSSTox ID：

DTXSID00451634

HScode：

2933599090

Characteristics

PSA：

89.10000

XLogP3：

0.73780

Density：

1.451g/cm3

Boiling Point：

464.2ºC at 760 mmHg

Flash Point：

234.5ºC

Refractive Index：

1.703

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H319

Computed Properties

Molecular Weight:165.15
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:165.053826475
Monoisotopic Mass:165.053826475
Topological Polar Surface Area:89.1
Heavy Atom Count:12
Complexity:185
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes