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Home > Encyclopedia > Benzylsuccinic acid

Benzylsuccinic acid

Benzylsuccinic acid structure

Benzylsuccinic acid 

structure
  • CAS No:

    884-33-3

  • Formula:

    C11H12O4

  • Chemical Name:

    Benzylsuccinic acid

  • Synonyms:

    Butanedioic acid,2-(phenylmethyl)-;Succinic acid,benzyl-;Butanedioic acid,(phenylmethyl)-;2-(Phenylmethyl)butanedioic acid;Benzylsuccinic acid;2-Benzylsuccinic acid;DL-Benzylsuccinic acid;NSC 20708;α-Benzylsuccinic acid;2-Benzylbutanedioic acid;36092-42-9;856290-04-5

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

ChEBI: A dicarboxylic acid consisting of succinic acid carrying a 2-benzyl substituent.


2-benzylsuccinic acid is a dicarboxylic acid consisting of succinic acid carrying a 2-benzyl substituent. It has a role as a bacterial xenobiotic metabolite. It derives from a succinic acid. It is a conjugate acid of a 2-benzylsuccinate(2-) and a (R)-2-benzylsuccinate.

Benzylsuccinic acid Basic Attributes

208.21

208.21

20708

2917399090

Characteristics

74.6

1.2

1.3±0.1 g/cm3

162 °C

331.4°C at 760 mmHg

168.4±18.8 °C

1.568

Safety Information

NONH for all modes of transport

3

36/37/38

S26-S36

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|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.|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

benzylsuccinic acid

Computed Properties

Molecular Weight:208.21
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:208.07355886
Monoisotopic Mass:208.07355886
Topological Polar Surface Area:74.6
Heavy Atom Count:15
Complexity:231
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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