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7632-39-5

7632-39-5 | Heptanedioic acid, 3-(1-methylethenyl)-

CAS No: 7632-39-5 Catalog No: AG005E6F MDL No:

Product Description

Catalog Number:
AG005E6F
Chemical Name:
Heptanedioic acid, 3-(1-methylethenyl)-
CAS Number:
7632-39-5
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
IUPAC Name:
3-prop-1-en-2-ylheptanedioic acid
InChI:
InChI=1S/C10H16O4/c1-7(2)8(6-10(13)14)4-3-5-9(11)12/h8H,1,3-6H2,2H3,(H,11,12)(H,13,14)
InChI Key:
OOJAVYUZAPJSNQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(C(=C)C)CC(=O)O

Properties

Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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