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88663-52-9 | 4-Nonen-6-ynoic acid, (E)-
CAS No: 88663-52-9 Catalog No: AG0048KR MDL No:
Product Description
Catalog Number:
AG0048KR
Chemical Name:
4-Nonen-6-ynoic acid, (E)-
CAS Number:
88663-52-9
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
non-4-en-6-ynoic acid
InChI:
InChI=1S/C9H12O2/c1-2-3-4-5-6-7-8-9(10)11/h5-6H,2,7-8H2,1H3,(H,10,11)
InChI Key:
PJNNEEAKHMAMNA-UHFFFAOYSA-N
SMILES:
CCC#C/C=C/CCC(=O)O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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