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6-Phosphonohexanoicacid

6-Phosphonohexanoicacid structure

CAS No:
5662-75-9
Formula:
C6H13O5P
Chemical Name:
6-Phosphonohexanoicacid
Synonyms:
6-phosphonohexanoic acid;6-Phosphonohexanoicacid;6-Phosphono-hexanoic acid;CHEMBL122539;Hexanoic acid, 6-phosphono-;ACMC-20alxq;6-Phosphonohexanoic acid;SCHEMBL504411;6-Phosphonohexanoic acid, 97%
Categories:
Organic Chemistry > Phosphines

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6-Phosphonohexanoicacid Basic Attributes

Molecular Weight：

196.139

Exact Mass：

196.050064

DSSTox ID：

DTXSID50448397

Characteristics

PSA：

94.8

XLogP3：

-1.47

Density：

1.4±0.1 g/cm3

Melting Point：

98-104 °C

Boiling Point：

447.3±47.0 °C at 760 mmHg

Flash Point：

224.3±29.3 °C

Refractive Index：

1.497

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

6-phosphonohexanoic acid

Computed Properties

Molecular Weight:196.14
XLogP3:-1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:196.05006051
Monoisotopic Mass:196.05006051
Topological Polar Surface Area:94.8
Heavy Atom Count:12
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes