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7119-55-3 | BUTANE-1,4-DIYL DICARBAMATE
CAS No: 7119-55-3 Catalog No: AG005KCU MDL No:
Product Description
Catalog Number:
AG005KCU
Chemical Name:
BUTANE-1,4-DIYL DICARBAMATE
CAS Number:
7119-55-3
Molecular Formula:
C6H12N2O4
Molecular Weight:
176.1705
IUPAC Name:
4-carbamoyloxybutyl carbamate
InChI:
InChI=1S/C6H12N2O4/c7-5(9)11-3-1-2-4-12-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
InChI Key:
ONWSHWFYPNZPAA-UHFFFAOYSA-N
SMILES:
NC(=O)OCCCCOC(=O)N
EC Number:
230-422-2
NSC Number:
240397
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.172g/mol
Monoisotopic Mass:
176.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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