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155683-32-2 | 4-Pentenoic acid, 2-ethyl-3-methyl-, (2R,3R)-
CAS No: 155683-32-2 Catalog No: AG001O40 MDL No:
Product Description
Catalog Number:
AG001O40
Chemical Name:
4-Pentenoic acid, 2-ethyl-3-methyl-, (2R,3R)-
CAS Number:
155683-32-2
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
(2R,3R)-2-ethyl-3-methylpent-4-enoic acid
InChI:
InChI=1S/C8H14O2/c1-4-6(3)7(5-2)8(9)10/h4,6-7H,1,5H2,2-3H3,(H,9,10)/t6-,7-/m1/s1
InChI Key:
WQZNJGLYSIRLEF-RNFRBKRXSA-N
SMILES:
CC[C@H]([C@@H](C=C)C)C(=O)O
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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