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87837-34-1 | 3-Pentenoic acid, 3-ethyl-
CAS No: 87837-34-1 Catalog No: AG004H7D MDL No:
Product Description
Catalog Number:
AG004H7D
Chemical Name:
3-Pentenoic acid, 3-ethyl-
CAS Number:
87837-34-1
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
3-ethylpent-3-enoic acid
InChI:
InChI=1S/C7H12O2/c1-3-6(4-2)5-7(8)9/h3H,4-5H2,1-2H3,(H,8,9)
InChI Key:
SNOQFGDRFDBUTQ-UHFFFAOYSA-N
SMILES:
CCC(=CC)CC(=O)O
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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