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1019619-83-0 | Benzonitrile, 4-(cyclopropylmethoxy)-
CAS No: 1019619-83-0 Catalog No: AG00063P MDL No:MFCD11136694
Product Description
Catalog Number:
AG00063P
Chemical Name:
Benzonitrile, 4-(cyclopropylmethoxy)-
CAS Number:
1019619-83-0
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD11136694
IUPAC Name:
4-(cyclopropylmethoxy)benzonitrile
InChI:
InChI=1S/C11H11NO/c12-7-9-3-5-11(6-4-9)13-8-10-1-2-10/h3-6,10H,1-2,8H2
InChI Key:
ANFJPOSRSRESGD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OCC1CC1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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