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Technical Information
Properties
Literature
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Technical Information
Properties
Literature
Technical Information
Catalog Number:
AA00EQXH
Chemical Name:
Butanedioic acid, (3-methylphenyl)methyl-
CAS Number:
6315-20-4
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD00582475
SMILES:
OC(=O)CC(C(=O)O)Cc1cccc(c1)C
NSC Number:
20718
Properties
Computed Properties
Complexity:
262
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Rotatable Bond Count:
5
Undefined Atom Stereocenter Count:
1
XLogP3:
1.6
Literature
Title: Substrate specificities and electron paramagnetic resonance properties of benzylsuccinate synthases in anaerobic toluene and m-xylene metabolism.
