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75649-68-2 | CYCLOHEPT-3-ENE-1-CARBOXYLIC ACID
CAS No: 75649-68-2 Catalog No: AG005J14 MDL No:
Product Description
Catalog Number:
AG005J14
Chemical Name:
CYCLOHEPT-3-ENE-1-CARBOXYLIC ACID
CAS Number:
75649-68-2
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
cyclohept-3-ene-1-carboxylic acid
InChI:
InChI=1S/C8H12O2/c9-8(10)7-5-3-1-2-4-6-7/h1,3,7H,2,4-6H2,(H,9,10)
InChI Key:
GABHLXMDAJUMTI-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCC=CC1
NSC Number:
152695
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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