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4-(METHOXYMETHYL)BENZOICACID

4-(METHOXYMETHYL)BENZOICACID structure

CAS No:
67003-50-3
Formula:
C9H10O3
Chemical Name:
4-(METHOXYMETHYL)BENZOICACID
Synonyms:
4-(methoxymethyl)benzoic acid(SALTDATA: FREE);Benzoic acid, 4-(methoxymethyl)-

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4-(METHOXYMETHYL)BENZOICACID Basic Attributes

Molecular Weight：

166.17

Exact Mass：

166.062994177 g/mol

NSC Number：

210274

DSSTox ID：

DTXSID80308859

Characteristics

PSA：

46.5 Å²

XLogP3：

1.76 (LogP)

Density：

1.177±0.06 g/cm3

Melting Point：

123 °C

Boiling Point：

281.8±23.0 °C(Predicted)

PKA：

4.19±0.10

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:166.17
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:166.062994177
Monoisotopic Mass:166.062994177
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:148
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(METHOXYMETHYL)BENZOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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