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29901-85-7

29901-85-7 | 3-HEPTENOIC ACID

CAS No: 29901-85-7 Catalog No: AG003JIH MDL No:MFCD00058999

Product Description

Catalog Number:
AG003JIH
Chemical Name:
3-HEPTENOIC ACID
CAS Number:
29901-85-7
MDL Number:
MFCD00058999
IUPAC Name:
(E)-hept-3-enoic acid
InChI:
InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h4-5H,2-3,6H2,1H3,(H,8,9)/b5-4+
InChI Key:
BCYXFRMDZWKZSF-SNAWJCMRSA-N

Properties

Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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