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heptyl carbamate

CAS No.:
4248-20-8
Catalog Number:
AG01BVF5
Molecular Formula:
C8H17NO2
Molecular Weight:
159.2261
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Product Description
Catalog Number:
AG01BVF5
Chemical Name:
heptyl carbamate
CAS Number:
4248-20-8
Molecular Formula:
C8H17NO2
Molecular Weight:
159.2261
MDL Number:
MFCD20693443
IUPAC Name:
heptyl carbamate
InChI:
InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-11-8(9)10/h2-7H2,1H3,(H2,9,10)
InChI Key:
AXMPFOXRWZXZFA-UHFFFAOYSA-N
SMILES:
CCCCCCCOC(=O)N
NSC Number:
31195
Properties
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.126g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.229g/mol
Monoisotopic Mass:
159.126g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties