Home Other Building Blocks hept-5-ynoic acid

hept-5-ynoic acid

CAS No.:
255381-83-0
Catalog Number:
AG01A5QI
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
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Product Description
Catalog Number:
AG01A5QI
Chemical Name:
hept-5-ynoic acid
CAS Number:
255381-83-0
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD02255705
IUPAC Name:
hept-5-ynoic acid
InChI:
InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h4-6H2,1H3,(H,8,9)
InChI Key:
MHGHBWVIEFLKBM-UHFFFAOYSA-N
SMILES:
CC#CCCCC(=O)O
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties