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1575-74-2 | 4-Pentenoic acid, 2-methyl-
CAS No: 1575-74-2 Catalog No: AG001PI4 MDL No:MFCD00015570
Product Description
Catalog Number:
AG001PI4
Chemical Name:
4-Pentenoic acid, 2-methyl-
CAS Number:
1575-74-2
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD00015570
IUPAC Name:
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)
InChI Key:
HVRZYSHVZOELOH-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)CC=C
EC Number:
216-404-7
FEMA Number:
3511
Properties
Complexity:
96.7
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:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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