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16313-37-4 | 3-Pentenoic acid, 3-methyl-
CAS No: 16313-37-4 Catalog No: AG001TT4 MDL No:
Product Description
Catalog Number:
AG001TT4
Chemical Name:
3-Pentenoic acid, 3-methyl-
CAS Number:
16313-37-4
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
IUPAC Name:
3-methylpent-3-enoic acid
InChI:
InChI=1S/C6H10O2/c1-3-5(2)4-6(7)8/h3H,4H2,1-2H3,(H,7,8)
InChI Key:
OGVROELYPSGUQB-UHFFFAOYSA-N
SMILES:
CC(=CC)CC(=O)O
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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