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285142-14-5

285142-14-5 | 1,4-Cyclohexadiene-1-carboxylic acid, 4-(1-methylethyl)-

CAS No: 285142-14-5 Catalog No: AG002VLA MDL No:

Product Description

Catalog Number:
AG002VLA
Chemical Name:
1,4-Cyclohexadiene-1-carboxylic acid, 4-(1-methylethyl)-
CAS Number:
285142-14-5
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
4-propan-2-ylcyclohexa-1,4-diene-1-carboxylic acid
InChI:
InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3,6-7H,4-5H2,1-2H3,(H,11,12)
InChI Key:
NMKACEPSUGRCPW-UHFFFAOYSA-N
SMILES:
CC(C1=CCC(=CC1)C(=O)O)C

Properties

Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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