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89609-30-3 | 4-Pentenoic acid, 2-(methoxymethyl)-
CAS No: 89609-30-3 Catalog No: AG003XFQ MDL No:
Product Description
Catalog Number:
AG003XFQ
Chemical Name:
4-Pentenoic acid, 2-(methoxymethyl)-
CAS Number:
89609-30-3
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
2-(methoxymethyl)pent-4-enoic acid
InChI:
InChI=1S/C7H12O3/c1-3-4-6(5-10-2)7(8)9/h3,6H,1,4-5H2,2H3,(H,8,9)
InChI Key:
HFPVEEDLBHYIFX-UHFFFAOYSA-N
SMILES:
COCC(C(=O)O)CC=C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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