Home Nitriles 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile

6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile

CAS No.:
102035-35-8
Catalog Number:
AG01A651
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
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Product Description
Catalog Number:
AG01A651
Chemical Name:
6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
CAS Number:
102035-35-8
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD11537295
IUPAC Name:
6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
InChI:
InChI=1S/C12H13NO/c1-14-11-5-6-12-9(7-11)3-2-4-10(12)8-13/h5-7,10H,2-4H2,1H3
InChI Key:
YDZKXSJJOKITBK-UHFFFAOYSA-N
SMILES:
N#CC1CCCc2c1ccc(c2)OC
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties