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78999-66-3 | Carbamic acid, (1-methoxy-2-methylpropyl)-, methyl ester
CAS No: 78999-66-3 Catalog No: AG005CDN MDL No:
Product Description
Catalog Number:
AG005CDN
Chemical Name:
Carbamic acid, (1-methoxy-2-methylpropyl)-, methyl ester
CAS Number:
78999-66-3
Molecular Formula:
C7H15NO3
Molecular Weight:
161.1989
IUPAC Name:
methyl N-(1-methoxy-2-methylpropyl)carbamate
InChI:
InChI=1S/C7H15NO3/c1-5(2)6(10-3)8-7(9)11-4/h5-6H,1-4H3,(H,8,9)
InChI Key:
PCHIPIMWCMTXDK-UHFFFAOYSA-N
SMILES:
COC(=O)NC(C(C)C)OC
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.105g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.201g/mol
Monoisotopic Mass:
161.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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