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28805-55-2 | Butanedioic acid, 2-(hexen-1-yl)-
CAS No: 28805-55-2 Catalog No: AG002WKI MDL No:
Product Description
Catalog Number:
AG002WKI
Chemical Name:
Butanedioic acid, 2-(hexen-1-yl)-
CAS Number:
28805-55-2
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
IUPAC Name:
2-hex-1-enylbutanedioic acid
InChI:
InChI=1S/C10H16O4/c1-2-3-4-5-6-8(10(13)14)7-9(11)12/h5-6,8H,2-4,7H2,1H3,(H,11,12)(H,13,14)
InChI Key:
DMNJWIGKABXQGQ-UHFFFAOYSA-N
SMILES:
CCCCC=CC(C(=O)O)CC(=O)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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