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16121-02-1 | 2H-1-Benzopyran, 3,4,5,6,7,8-hexahydro-3-methyl-
CAS No: 16121-02-1 Catalog No: AG001S9Z MDL No:
Product Description
Catalog Number:
AG001S9Z
Chemical Name:
2H-1-Benzopyran, 3,4,5,6,7,8-hexahydro-3-methyl-
CAS Number:
16121-02-1
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
3-methyl-3,4,5,6,7,8-hexahydro-2H-chromene
InChI:
InChI=1S/C10H16O/c1-8-6-9-4-2-3-5-10(9)11-7-8/h8H,2-7H2,1H3
InChI Key:
XVMWRGMQBJVKHS-UHFFFAOYSA-N
SMILES:
CC1COC2=C(C1)CCCC2
NSC Number:
106099
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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