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20626-61-3 | 4-Pentenoic acid, 2-methyl-, (2S)-
CAS No: 20626-61-3 Catalog No: AG002IEA MDL No:
Product Description
Catalog Number:
AG002IEA
Chemical Name:
4-Pentenoic acid, 2-methyl-, (2S)-
CAS Number:
20626-61-3
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
IUPAC Name:
(2S)-2-methylpent-4-enoic acid
InChI:
InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)/t5-/m0/s1
InChI Key:
HVRZYSHVZOELOH-YFKPBYRVSA-N
SMILES:
C[C@H](C(=O)O)CC=C
Properties
Complexity:
96.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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