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1457-39-2 | Butanedioic acid, 2-butyl-
CAS No: 1457-39-2 Catalog No: AG001DC1 MDL No:
Product Description
Catalog Number:
AG001DC1
Chemical Name:
Butanedioic acid, 2-butyl-
CAS Number:
1457-39-2
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
IUPAC Name:
2-butylbutanedioic acid
InChI:
InChI=1S/C8H14O4/c1-2-3-4-6(8(11)12)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)
InChI Key:
WOPLHDNLGYOSPG-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)O)CC(=O)O
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Biodegradation of poly(tetramethylene succinate-co-tetramethylene adipate) and poly(tetramethylene succinate) through water-soluble products. | Environmental toxicology and chemistry 20010501 |
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