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89156-88-7 | 3-Pentenoic acid, 4-methyl-2-(1-methylethyl)-
CAS No: 89156-88-7 Catalog No: AG003X9Q MDL No:
Product Description
Catalog Number:
AG003X9Q
Chemical Name:
3-Pentenoic acid, 4-methyl-2-(1-methylethyl)-
CAS Number:
89156-88-7
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
4-methyl-2-propan-2-ylpent-3-enoic acid
InChI:
InChI=1S/C9H16O2/c1-6(2)5-8(7(3)4)9(10)11/h5,7-8H,1-4H3,(H,10,11)
InChI Key:
IPGDYMFCCKMUFB-UHFFFAOYSA-N
SMILES:
CC(=CC(C(=O)O)C(C)C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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