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3-[4-(Methoxycarbonyl)phenyl]propanoicacid

3-[4-(Methoxycarbonyl)phenyl]propanoicacid structure

CAS No:
151937-09-6
Formula:
C11H12O4
Chemical Name:
3-[4-(Methoxycarbonyl)phenyl]propanoicacid
Synonyms:
3-[4-(Methoxycarbonyl)phenyl]propanoic acid;Benzenepropanoic acid, 4-(methoxycarbonyl)-;4-(2-Carboxyethyl)benzoic Acid Methyl Ester

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3-[4-(Methoxycarbonyl)phenyl]propanoicacid Basic Attributes

Molecular Weight：

208.21

Exact Mass：

208.07355886

DSSTox ID：

DTXSID70627743

HScode：

2918990090

Characteristics

PSA：

63.60000

XLogP3：

1.49040

Density：

1?+-.0.06 g/cm3

Boiling Point：

360.5±25.0 °C(Predicted)

PKA：

4.55±0.10

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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.

3-[4-(Methoxycarbonyl)phenyl]propanoicacid Use and Manufacturing

An intermediate in the preparation of a potential inhibitor of GAR Tfase.

Computed Properties

Molecular Weight:208.21
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:208.07355886
Monoisotopic Mass:208.07355886
Topological Polar Surface Area:63.6
Heavy Atom Count:15
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[4-(Methoxycarbonyl)phenyl]propanoicacid

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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