Home Carboxys 2-(carboxymethyl)cyclohex-1-enecarboxylic acid

2-(carboxymethyl)cyclohex-1-enecarboxylic acid

CAS No.:
63177-18-4
Catalog Number:
AG01DI21
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
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Product Description
Catalog Number:
AG01DI21
Chemical Name:
2-(carboxymethyl)cyclohex-1-enecarboxylic acid
CAS Number:
63177-18-4
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
MDL Number:
MFCD12974039
IUPAC Name:
2-(carboxymethyl)cyclohexene-1-carboxylic acid
InChI:
InChI=1S/C9H12O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-5H2,(H,10,11)(H,12,13)
InChI Key:
PVUSUYXIVGSQHU-UHFFFAOYSA-N
SMILES:
OC(=O)CC1=C(CCCC1)C(=O)O
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties