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1572-83-4 | 2-Butene-1,4-diol, 1,4-dipropanoate
CAS No: 1572-83-4 Catalog No: AG001PA6 MDL No:
Product Description
Catalog Number:
AG001PA6
Chemical Name:
2-Butene-1,4-diol, 1,4-dipropanoate
CAS Number:
1572-83-4
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
IUPAC Name:
but-2-ene-1,4-diol;propanoic acid
InChI:
InChI=1S/C4H8O2.2C3H6O2/c5-3-1-2-4-6;2*1-2-3(4)5/h1-2,5-6H,3-4H2;2*2H2,1H3,(H,4,5)
InChI Key:
IXYNMBFUNYVOQN-UHFFFAOYSA-N
SMILES:
CCC(=O)OCC=CCOC(=O)CC
Properties
Complexity:
75
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
236.264g/mol
Monoisotopic Mass:
236.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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